Exact Mass: 444.08531020000004

Exact Mass Matches: 444.08531020000004

Found 137 metabolites which its exact mass value is equals to given mass value 444.08531020000004, within given mass tolerance error 0.05 dalton. Try search metabolite list with more accurate mass tolerance error 0.01 dalton.

Granaticin

(1R,7S,11S,13S,19S,20R,23R)-5,15,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.02,18.04,16.06,14.07,11]tricosa-2(18),4,6(14),15-tetraene-3,9,17-trione

C22H20O10 (444.105642)


   

Seladelpar

Seladelpar

C21H23F3O5S (444.12182240000004)


C78276 - Agent Affecting Digestive System or Metabolism > C29711 - Anti-diabetic Agent > C154291 - Peroxisome Proliferator-Activated Receptor Agonist D057847 - Lipid Regulating Agents > D000960 - Hypolipidemic Agents D009676 - Noxae > D000963 - Antimetabolites Seladelpar (MBX-8025) is an orally active, potent (50\% effect concentration EC50 2 nM), and specific PPAR-δ agonist[1][2].

   

5-O-[(R)-Hydroxy{[(2s)-Pyrrolidin-2-Ylcarbonyl]oxy}phosphoryl]adenosine

5-O-[(R)-Hydroxy{[(2s)-Pyrrolidin-2-Ylcarbonyl]oxy}phosphoryl]adenosine

C15H21N6O8P (444.1158436)


   

Rothindin

3-(2H-1,3-benzodioxol-5-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

C22H20O10 (444.105642)


Rothindin is found in herbs and spices. Rothindin is isolated from Trifolium pratense (red clover). Isolated from Trifolium pratense (red clover). Rothindin is found in tea and herbs and spices.

   

Formononetin 7-O-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid

C22H20O10 (444.105642)


Formononetin 7-O-glucuronide is a polyphenol metabolite detected in biological fluids (PMID: 20428313).

   

Artomunoxanthentrione

11-hydroxy-19-methoxy-7,7-dimethyl-16-(prop-1-en-2-yl)-2,8-dioxapentacyclo[12.8.0.0³,¹².0⁴,⁹.0¹⁷,²²]docosa-1(22),3(12),4(9),5,10,14,16,19-octaene-13,18,21-trione

C26H20O7 (444.120897)


Artomunoxanthentrione is found in breadfruit. Artomunoxanthentrione is a constituent of Artocarpus communis (breadfruit). Constituent of Artocarpus communis (breadfruit). Artomunoxanthentrione is found in breadfruit and fruits.

   

6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one

6-(3,4-dihydroxy-6-methyl-5-oxooxan-2-yl)-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one

C22H20O10 (444.105642)


   

Betavulgarin xyloside

9-methoxy-7-{2-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one

C22H20O10 (444.105642)


Betavulgarin xyloside is found in root vegetables. Betavulgarin xyloside is a constituent of Beta vulgaris (suger beet) infected with Rhizoctonia solani. Constituent of Beta vulgaris (suger beet) infected with Rhizoctonia solani. Betavulgarin xyloside is found in root vegetables.

   

4-Hydroxyphenytoin glucuronide

(2S,3S,4S,5R)-6-[4-(2,5-dioxo-4-phenylimidazolidin-4-yl)phenoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

C21H20N2O9 (444.11687500000005)


4-Hydroxyphenytoin glucuronide is a metabolite of phenytoin. Phenytoin sodium is a commonly used antiepileptic. Phenytoin acts to suppress the abnormal brain activity seen in seizure by reducing electrical conductance among brain cells by stabilizing the inactive state of voltage-gated sodium channels. Aside from seizures, it is an option in the treatment of trigeminal neuralgia in the event that carbamazepine or other first-line treatment seems inappropriate. It is sometimes considered a class 1b antiarrhythmic. (Wikipedia)

   

Formononetin 7-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[2-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid

C22H20O10 (444.105642)


   

2-Aminoethyl 2-[[2-[4-(4-chlorophenoxy)phenoxy]acetyl]amino]ethyl hydrogen phosphate

N-(2-{[(2-aminoethoxy)(hydroxy)phosphoryl]oxy}ethyl)-2-[4-(4-chlorophenoxy)phenoxy]ethanimidate

C18H22ClN2O7P (444.08531020000004)


   

Seladelpar

2-[4-({2-ethoxy-3-[4-(trifluoromethyl)phenoxy]propyl}sulphanyl)-2-methylphenoxy]acetic acid

C21H23F3O5S (444.12182240000004)


   

Defibrotide

{5-hydroxy-4-[4-(1-methyl-1H-indol-5-yl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-3-yl]-2-(propan-2-yl)phenoxy}phosphonic acid

C20H21N4O6P (444.1198656)


   

Vercirnon

4-Tert-butyl-N-[4-chloro-2-(1-oxo-1-pyridine-4-carbonyl)phenyl]benzene-1-sulphonamide

C22H21ClN2O4S (444.0910496000001)


   

Vulgamycin

2-benzoyl-1,3,8,10-tetrahydroxy-9-(4-methoxy-2-oxo-2H-pyran-6-yl)-5-oxatricyclo[4.3.1.0³,⁸]decan-4-one

C22H20O10 (444.105642)


   

3'-O-Methylderhamnosylmaysin

6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one

C22H20O10 (444.105642)


3-o-methylderhamnosylmaysin is a member of the class of compounds known as flavonoid c-glycosides. Flavonoid c-glycosides are compounds containing a carbohydrate moiety which is C-glycosidically linked to the 2-phenylchromen-4-one flavonoid backbone. 3-o-methylderhamnosylmaysin is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). 3-o-methylderhamnosylmaysin can be found in corn, which makes 3-o-methylderhamnosylmaysin a potential biomarker for the consumption of this food product.

   

Xanthoviridicatin G

Xanthoviridicatin G

C25H16O8 (444.0845136)


   
   
   

Enterocin

3,6-Methanocyclopenta(c)pyran-1(3H)-one, 7-benzoylhexahydro-4a,6,7a,8-tetrahydroxy-5-(4-methoxy-2-oxo-2H-pyran-6-yl)-, (3R,4aR,5S,6S,7S,7aS,8R)-

C22H20O10 (444.105642)


   

Licoagroside C

3-Hydroxy-9-methoxycoumestan 3-O-glucoside

C22H20O10 (444.105642)


   

3-O-Methylderhamnosylmaysin

5,7,4-Trihydroxy-3-methoxyflavone 6-C- (6-deoxy-xylo-hexose-4-urosyl)

C22H20O10 (444.105642)


   

Artomunoxanthentrione

6-Hydroxy-11-methoxy-3,3-dimethyl-9- (1-methylethenyl) -3H,7H-benzo [ c ] pyrano [ 3,2-h ] xanthene-7,10,13-trione

C26H20O7 (444.120897)


   

Rothindin

3-(2H-1,3-benzodioxol-5-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one

C22H20O10 (444.105642)


   

DODECAMETHYLCYCLOHEXASILOXANE

DODECAMETHYLCYCLOHEXASILOXANE

C12H36O6Si6 (444.11274360000004)


D001697 - Biomedical and Dental Materials

   
   

aglycon of isoquinocycline

aglycon of isoquinocycline

C25H20N2O6 (444.13213)


   
   
   
   

rhamnocitrin 3-glucuronide

rhamnocitrin 3-glucuronide

C22H20O10 (444.105642)


   
   

2-Hydroxy-3,5-dichloro-4-methyl-6-[2-methyl-3-(methoxycarbonyl)-4-methoxy-6-hydroxyphenoxy]benzoic acid methyl ester

2-Hydroxy-3,5-dichloro-4-methyl-6-[2-methyl-3-(methoxycarbonyl)-4-methoxy-6-hydroxyphenoxy]benzoic acid methyl ester

C19H18Cl2O8 (444.0378688)


   

Branaticin|Granaticin

Branaticin|Granaticin

C22H20O10 (444.105642)


   

3,8-didesmethyltetracenomycin C 5

3,8-didesmethyltetracenomycin C 5

C21H16O11 (444.0692586)


   

JBIR-85

JBIR-85

C22H20O10 (444.105642)


A natural product found in Streptomyces species.

   

3,5-Dichlor-6-hydroxy-3,5-dimethoxy-4-methyl-2,2-oxy-di-benzoesaeure-dimethylester|3,5-dichloro-6-hydroxy-3,5-dimethoxy-4-methyl-2,2-oxy-di-benzoic acid dimethyl ester|methyl 2,4-dichloroasterrate

3,5-Dichlor-6-hydroxy-3,5-dimethoxy-4-methyl-2,2-oxy-di-benzoesaeure-dimethylester|3,5-dichloro-6-hydroxy-3,5-dimethoxy-4-methyl-2,2-oxy-di-benzoic acid dimethyl ester|methyl 2,4-dichloroasterrate

C19H18Cl2O8 (444.0378688)


   
   
   

(1R)-2c-Aethyl-2t,4t,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-naphthacen-1r-carbonsaeure-methylester|(1R)-2c-ethyl-2t,4t,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-naphthacene-1r-carboxylic acid methyl ester|epsilon-Iso-rhodomycinon|epsilon-iso-rhodomycinone|epsilon-Isorhodomycinon|epsilon-Isorhodomycinone

(1R)-2c-Aethyl-2t,4t,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-naphthacen-1r-carbonsaeure-methylester|(1R)-2c-ethyl-2t,4t,5,7,10,12-hexahydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydro-naphthacene-1r-carboxylic acid methyl ester|epsilon-Iso-rhodomycinon|epsilon-iso-rhodomycinone|epsilon-Isorhodomycinon|epsilon-Isorhodomycinone

C22H20O10 (444.105642)


   

1-O-(E)-feruloyl-3-alpha-D-glucuronosylglycerol

1-O-(E)-feruloyl-3-alpha-D-glucuronosylglycerol

C19H24O12 (444.1267704)


   
   

Cys Cys Gly Tyr

(2S)-2-{2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanoic acid

C17H24N4O6S2 (444.1137204)


   

Cys Cys Tyr Gly

2-[(2S)-2-[(2R)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetic acid

C17H24N4O6S2 (444.1137204)


   

Cys Gly Cys Tyr

(2S)-2-[(2R)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C17H24N4O6S2 (444.1137204)


   

Cys Gly Tyr Cys

(2R)-2-[(2S)-2-{2-[(2R)-2-amino-3-sulfanylpropanamido]acetamido}-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C17H24N4O6S2 (444.1137204)


   

Cys Tyr Cys Gly

2-[(2R)-2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]acetic acid

C17H24N4O6S2 (444.1137204)


   

Cys Tyr Gly Cys

(2R)-2-{2-[(2S)-2-[(2R)-2-amino-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]acetamido}-3-sulfanylpropanoic acid

C17H24N4O6S2 (444.1137204)


   

Gly Cys Cys Tyr

(2S)-2-[(2R)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanoic acid

C17H24N4O6S2 (444.1137204)


   

Gly Cys Tyr Cys

(2R)-2-[(2S)-2-[(2R)-2-(2-aminoacetamido)-3-sulfanylpropanamido]-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanoic acid

C17H24N4O6S2 (444.1137204)


   

Gly Tyr Cys Cys

(2R)-2-[(2R)-2-[(2S)-2-(2-aminoacetamido)-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C17H24N4O6S2 (444.1137204)


   
   

Tyr Cys Cys Gly

2-[(2R)-2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]-3-sulfanylpropanamido]acetic acid

C17H24N4O6S2 (444.1137204)


   

Tyr Cys Gly Cys

(2R)-2-{2-[(2R)-2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]-3-sulfanylpropanamido]acetamido}-3-sulfanylpropanoic acid

C17H24N4O6S2 (444.1137204)


   

Tyr Gly Cys Cys

(2R)-2-[(2R)-2-{2-[(2S)-2-amino-3-(4-hydroxyphenyl)propanamido]acetamido}-3-sulfanylpropanamido]-3-sulfanylpropanoic acid

C17H24N4O6S2 (444.1137204)


   

Phe4Cl-His-OH

(S)-2-(3-((4-chlorobenzyl)oxy)-4-nitrobenzamido)-4-(1H-imidazol-4-yl)butanoic acid

C20H17ClN4O6 (444.0836572)


   

Betavulgarin xyloside

9-methoxy-7-{2-[(3,4,5-trihydroxyoxan-2-yl)oxy]phenyl}-2H,8H-[1,3]dioxolo[4,5-g]chromen-8-one

C22H20O10 (444.105642)


   

Formononetin 7-O-glucuronide

(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[3-(4-methoxyphenyl)-4-oxo-4H-chromen-7-yl]oxy}oxane-2-carboxylic acid

C22H20O10 (444.105642)


   

sermetacin

sermetacin

C22H21ClN2O6 (444.10880760000003)


C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent > C2198 - Nonnarcotic Analgesic

   

sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-3-sulphonate

sodium 4-[(4-amino-9,10-dihydro-3-methyl-9,10-dioxo-1-anthryl)amino]toluene-3-sulphonate

C22H17N2NaO5S (444.07558320000004)


   

DIETHYL 2-(ACETAMIDO)-2-(2-(BROMOMETHYL)-5-NITROBENZYL)MALONATE

DIETHYL 2-(ACETAMIDO)-2-(2-(BROMOMETHYL)-5-NITROBENZYL)MALONATE

C17H21BrN2O7 (444.0532056)


   

3-[(3-aminophenyl)-[3,5-bis(trifluoromethyl)phenyl]phosphoryl]aniline

3-[(3-aminophenyl)-[3,5-bis(trifluoromethyl)phenyl]phosphoryl]aniline

C20H15F6N2OP (444.08261419999997)


   

Titanium acetylacetonate

Titanium acetylacetonate

C20H28O8Ti (444.1263558)


   

4-(2,2-DIPHENYLPROPANE-4-YLOXYSULFONYL) NAPHTHOQUINONE-1,2-DIAZIDE

4-(2,2-DIPHENYLPROPANE-4-YLOXYSULFONYL) NAPHTHOQUINONE-1,2-DIAZIDE

C25H20N2O4S (444.11437200000006)


   

2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl)cyclohexan-1-one

2-(2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanoyl)cyclohexan-1-one

C13H9F13O2 (444.03949299999994)


   

3-O-ACETYL-6-O-BENZOYL-5-O-(METHYLSULFONYL)-1,2-O-ISOPROPYLIDENE-ALPHA-D-GLUCOFURANOSE

3-O-ACETYL-6-O-BENZOYL-5-O-(METHYLSULFONYL)-1,2-O-ISOPROPYLIDENE-ALPHA-D-GLUCOFURANOSE

C19H24O10S (444.1090124)


   

ETHYL 4,4,4-TRIFLUORO-2-(TRIPHENYLPHOSPHORANYLIDENE)ACETOACETATE

ETHYL 4,4,4-TRIFLUORO-2-(TRIPHENYLPHOSPHORANYLIDENE)ACETOACETATE

C24H20F3O3P (444.1102096)


   

2-[2-methyl-5-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetic acid

2-[2-methyl-5-[4-[6-(trifluoromethyl)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetic acid

C18H19F3N4O4S (444.107905)


   

2,4,6-tris(4-nitrophenyl)-1,3,5-triazine

2,4,6-tris(4-nitrophenyl)-1,3,5-triazine

C21H12N6O6 (444.0818292)


   

9H-Fluorene, 2-iodo-9, 9-diphenyl-

9H-Fluorene, 2-iodo-9, 9-diphenyl-

C25H17I (444.03749519999997)


   

4-Nitrophenyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside 6-(hydrogen sulfate) monosodium salt

4-Nitrophenyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside 6-(hydrogen sulfate) monosodium salt

C14H17N2NaO11S (444.04507320000005)


   

Defibrotide

Defibrotide sodium

C20H21N4O6P (444.1198656)


B - Blood and blood forming organs > B01 - Antithrombotic agents > B01A - Antithrombotic agents COVID info from clinicaltrial, clinicaltrials, clinical trial, clinical trials Corona-virus Coronavirus SARS-CoV-2 COVID-19 SARS-CoV COVID19 SARS2 SARS

   

4-(1-METHYL-1-PHENYLETHYL)PHENYL 3-DIAZO-3,4-DIHYDRO-4-OXO-1-NAPHTHALENESULFONATE

4-(1-METHYL-1-PHENYLETHYL)PHENYL 3-DIAZO-3,4-DIHYDRO-4-OXO-1-NAPHTHALENESULFONATE

C25H20N2O4S (444.11437200000006)


   

Vercirnon

Vercirnon

C22H21ClN2O4S (444.0910496000001)


C308 - Immunotherapeutic Agent > C63817 - Chemokine Receptor Antagonist

   

2-Aminoethyl 2-[[2-[4-(4-chlorophenoxy)phenoxy]acetyl]amino]ethyl hydrogen phosphate

2-Aminoethyl 2-[[2-[4-(4-chlorophenoxy)phenoxy]acetyl]amino]ethyl hydrogen phosphate

C18H22ClN2O7P (444.08531020000004)


   

5-(1,3-Benzodioxol-5-ylmethyl)-4-methyl-2-[[1-naphthalenyl(oxo)methyl]amino]-3-thiophenecarboxamide

5-(1,3-Benzodioxol-5-ylmethyl)-4-methyl-2-[[1-naphthalenyl(oxo)methyl]amino]-3-thiophenecarboxamide

C25H20N2O4S (444.11437200000006)


   

Hexacyclopentacoronene

Hexacyclopentacoronene

C36H12 (444.0938952)


   

1-{3-[(4-Pyridin-2-Ylpiperazin-1-Yl)sulfonyl]phenyl}-3-(1,3-Thiazol-2-Yl)urea

1-{3-[(4-Pyridin-2-Ylpiperazin-1-Yl)sulfonyl]phenyl}-3-(1,3-Thiazol-2-Yl)urea

C19H20N6O3S2 (444.103825)


   

(11r)-10-Acetyl-11-(2,4-Dichlorophenyl)-6-Hydroxy-3,3-Dimethyl-2,3,4,5,10,11-Hexahydro-1h-Dibenzo[b,E][1,4]diazepin-1-One

(11r)-10-Acetyl-11-(2,4-Dichlorophenyl)-6-Hydroxy-3,3-Dimethyl-2,3,4,5,10,11-Hexahydro-1h-Dibenzo[b,E][1,4]diazepin-1-One

C23H22Cl2N2O3 (444.1007402)


   

Litmomycin

Litmomycin

C22H20O10 (444.105642)


D000970 - Antineoplastic Agents

   
   
   
   

(1S,2E,3S,6R,8R,9S)-1,3,8,10-tetrahydroxy-2-[hydroxy(phenyl)methylidene]-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.03,8]decan-4-one

(1S,2E,3S,6R,8R,9S)-1,3,8,10-tetrahydroxy-2-[hydroxy(phenyl)methylidene]-9-(4-methoxy-6-oxopyran-2-yl)-5-oxatricyclo[4.3.1.03,8]decan-4-one

C22H20O10 (444.105642)


   

[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(3-aminopropyl)phosphinic acid

[[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-(3-aminopropyl)phosphinic acid

C12H22N4O10P2 (444.08111319999995)


   

6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

6-[(3R,4S,6S)-3,4-dihydroxy-6-methyl-5-oxooxan-2-yl]-5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one

C22H20O10 (444.105642)


   

Circumtrindene

Circumtrindene

C36H12 (444.0938952)


   

(1S,12S,15R,17R,19S)-17-acetyl-4,7,9-trihydroxy-5,12-dimethoxy-14-oxapentacyclo[10.5.2.01,10.03,8.015,19]nonadeca-3(8),4,6,9-tetraene-2,11,13-trione

(1S,12S,15R,17R,19S)-17-acetyl-4,7,9-trihydroxy-5,12-dimethoxy-14-oxapentacyclo[10.5.2.01,10.03,8.015,19]nonadeca-3(8),4,6,9-tetraene-2,11,13-trione

C22H20O10 (444.105642)


   

(4-Chloro-1-ethyl-3-pyrazolyl)-[3-(2-hydroxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]methanone

(4-Chloro-1-ethyl-3-pyrazolyl)-[3-(2-hydroxyphenyl)-5-(2-naphthalenyl)-3,4-dihydropyrazol-2-yl]methanone

C25H21ClN4O2 (444.1352956)


   

2-(5-oxo-2,3-dihydro[1,3]thiazolo[3,2:1,2]pyrimido[5,4-b]indol-6(5H)-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(5-oxo-2,3-dihydro[1,3]thiazolo[3,2:1,2]pyrimido[5,4-b]indol-6(5H)-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C21H15F3N4O2S (444.0867766)


   

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(2-furanyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methanone

(6-fluoro-2-methyl-3,4-dihydro-2H-quinolin-1-yl)-[5-(2-furanyl)-7-(trifluoromethyl)-2-pyrazolo[1,5-a]pyrimidinyl]methanone

C22H16F4N4O2 (444.12093239999996)


   

1-Amino-4-(1-naphthalenylamino)-9,10-dioxo-2-anthracenesulfonic acid

1-Amino-4-(1-naphthalenylamino)-9,10-dioxo-2-anthracenesulfonic acid

C24H16N2O5S (444.0779886)


   

5-(2,4-difluorophenyl)-N-[2-(2-fluorophenyl)-4-oxo-thiazolidin-3-yl]-2-hydroxy-benzamide

5-(2,4-difluorophenyl)-N-[2-(2-fluorophenyl)-4-oxo-thiazolidin-3-yl]-2-hydroxy-benzamide

C22H15F3N2O3S (444.07554360000006)


   

3-[1-(4-bromophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,2-dimethylindole

3-[1-(4-bromophenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-1,2-dimethylindole

C21H21BrN2O2S (444.0507026)


   

3-L-prolyl-AMP

3-L-prolyl-AMP

C15H21N6O8P (444.1158436)


An L-proline derivative that is the ester obtained by formal condensation of the carboxy group of L-proline with the 3-hydroxy group of AMP.

   

4-chloro-N-[3-(3-methyl-1-piperidinyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide

4-chloro-N-[3-(3-methyl-1-piperidinyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide

C22H21ClN2O4S (444.0910496000001)


   

7-[(4-Fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione

7-[(4-Fluorophenyl)methyl]-1,3-dimethyl-8-[(2-oxo-2-thiophen-2-ylethyl)thio]purine-2,6-dione

C20H17FN4O3S2 (444.0726064)


   

3-[2,2-Dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-1,1-bis(phenylmethyl)urea

3-[2,2-Dichloro-1-(3-fluoro-4-methylphenyl)ethyl]-1,1-bis(phenylmethyl)urea

C24H23Cl2FN2O (444.11713799999995)


   

1-Butyl-2-[(1,3-dioxo-2-isoindolyl)methylthio]-5-benzimidazolesulfonamide

1-Butyl-2-[(1,3-dioxo-2-isoindolyl)methylthio]-5-benzimidazolesulfonamide

C20H20N4O4S2 (444.092592)


   

2-[4-chloro-5-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[4-chloro-5-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-(1,3,4-thiadiazol-2-yl)acetamide

C17H21ClN4O4S2 (444.06926960000004)


   

4-bromo-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)benzamide

4-bromo-N-[(6-ethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)benzamide

C21H21BrN2O4 (444.06846060000004)


   

3-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid

3-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-3-oxopropanoic acid

C14H25N2O10PS (444.09674800000005)


   

1-(4-Methylphenyl)sulfonyl-4-(2-naphthalenylsulfonyl)-1,4-diazepane

1-(4-Methylphenyl)sulfonyl-4-(2-naphthalenylsulfonyl)-1,4-diazepane

C22H24N2O4S2 (444.1177424)


   

N-(3-chlorophenyl)-4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazinecarbothioamide

N-(3-chlorophenyl)-4-[4-(3-methoxyphenyl)-2-thiazolyl]-1-piperazinecarbothioamide

C21H21ClN4OS2 (444.0845246)


   

8-bromo-6-ethyl-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide

8-bromo-6-ethyl-N-(2-oxolanylmethyl)-3-benzo[b][1,4]benzothiazepinecarboxamide

C21H21BrN2O2S (444.0507026)


   

N-[[2-(4-chlorophenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]benzenesulfonamide

N-[[2-(4-chlorophenyl)-1,3-dioxo-7,7a-dihydro-3aH-octahydro-1H-4,7-epoxyisoindol-4-yl]methyl]benzenesulfonamide

C21H17ClN2O5S (444.05466620000004)


   

Pseudobaptigenin 7-O-glucoside

Pseudobaptigenin 7-O-glucoside

C22H20O10 (444.105642)


   

(oxiran-2-yl)methyl 2-{6-[(oxiran-2-yl)methoxy]-3-oxo-3H-xanthen-9-yl}benzoate

(oxiran-2-yl)methyl 2-{6-[(oxiran-2-yl)methoxy]-3-oxo-3H-xanthen-9-yl}benzoate

C26H20O7 (444.120897)


   

{4-[2,3-Dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-hydroxy-6-methoxyphenyl}oxidanesulfonic acid

{4-[2,3-Dioxo-3-(2,4,6-trihydroxy-3-methoxyphenyl)propyl]-2-hydroxy-6-methoxyphenyl}oxidanesulfonic acid

C17H16O12S (444.03624560000003)


   

6-[3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)oxirane-2-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

6-[3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)oxirane-2-carbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid

C18H20O13 (444.090387)


   

Formononetin 7-glucuronide

Formononetin 7-glucuronide

C22H20O10 (444.105642)


   
   
   
   

BMS-687453

BMS-687453

C22H21ClN2O6 (444.10880760000003)


BMS-687453 is a potent and selective PPARα agonist, with an EC50 and IC50 of 10 nM and 260 nM for human PPARα and 4100 nM and >15000 nM for PPARγ in PPAR-GAL4 transactivation assays.

   

CCG-222740

CCG-222740

C23H19ClF2N2O3 (444.1052198000001)


CCG-222740 is an orally active and selective Rho/myocardin-related transcription factor (MRTF) pathway inhibitor[1]. CCG-222740 is also a potent inhibitor of alpha-smooth muscle actin protein expression. CCG-222740 effectively reduces fibrosis in skin and blocks melanoma metastasis[2].

   

JNJ-37822681 (dihydrochloride)

JNJ-37822681 (dihydrochloride)

C17H19Cl2F5N4 (444.0906854)


JNJ-37822681 dihydrochloride is a potent, specific, centrally active, fast-dissociating dopamine D2 receptor antagonist with a moderate binding affinity for the dopamine D2L receptor (Ki =158 nM), which has potential for the treatment of schizophrenia and bipolar disorder[1][2].

   

VU0467154

VU0467154

C17H15F3N4O3S2 (444.05376359999997)


VU0467154 is a positive allosteric modulator of the M4 muscarinic acetylcholine receptor (mAChR), potentiating the response to ACh with pEC50s of 7.75, 6.2 and 6 for rat, human and cynomolgus monkey M4 receptor, respectively.

   

[(1s,7s,16r,18r,19r)-1,3,14,19-tetrahydroxy-7,18-dimethyl-5,12-dioxo-8,17-dioxapentacyclo[14.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),3,6(11),9,13-pentaen-9-yl]acetic acid

[(1s,7s,16r,18r,19r)-1,3,14,19-tetrahydroxy-7,18-dimethyl-5,12-dioxo-8,17-dioxapentacyclo[14.2.2.0²,¹⁵.0⁴,¹³.0⁶,¹¹]icosa-2(15),3,6(11),9,13-pentaen-9-yl]acetic acid

C22H20O10 (444.105642)


   

(2s)-n-[(1z)-2-(5-bromo-1h-indol-3-yl)ethenyl]-4-[(2r)-butan-2-yl]-2-isopropyl-5-oxo-1h-imidazole-2-carboximidic acid

(2s)-n-[(1z)-2-(5-bromo-1h-indol-3-yl)ethenyl]-4-[(2r)-butan-2-yl]-2-isopropyl-5-oxo-1h-imidazole-2-carboximidic acid

C21H25BrN4O2 (444.11607699999996)


   

methyl (1r,2r,4s)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

methyl (1r,2r,4s)-2-ethyl-2,4,5,7,10,12-hexahydroxy-6,11-dioxo-3,4-dihydro-1h-tetracene-1-carboxylate

C22H20O10 (444.105642)


   

methyl (6ar,7r,10ar)-3,6a,7,8,10a,12-hexahydroxy-1-methyl-6,10,11-trioxo-7h-tetracene-2-carboxylate

methyl (6ar,7r,10ar)-3,6a,7,8,10a,12-hexahydroxy-1-methyl-6,10,11-trioxo-7h-tetracene-2-carboxylate

C21H16O11 (444.0692586)


   

(1r,3e,6s,17r)-17-chloro-6,10,21-trihydroxy-4,18,18-trimethyl-7-methylidene-19-oxatetracyclo[10.7.1.1⁹,¹³.0¹,¹⁵]henicosa-3,9,11,13(21),15-pentaene-14,20-dione

(1r,3e,6s,17r)-17-chloro-6,10,21-trihydroxy-4,18,18-trimethyl-7-methylidene-19-oxatetracyclo[10.7.1.1⁹,¹³.0¹,¹⁵]henicosa-3,9,11,13(21),15-pentaene-14,20-dione

C24H25ClO6 (444.133958)


   

(1r,7s,11s,19s,20r,23r)-5,15,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.0²,¹⁸.0⁴,¹⁶.0⁶,¹⁴.0⁷,¹¹]tricosa-2(18),4(16),5,14-tetraene-3,9,17-trione

(1r,7s,11s,19s,20r,23r)-5,15,19,23-tetrahydroxy-13,20-dimethyl-8,12,21-trioxahexacyclo[17.2.2.0²,¹⁸.0⁴,¹⁶.0⁶,¹⁴.0⁷,¹¹]tricosa-2(18),4(16),5,14-tetraene-3,9,17-trione

C22H20O10 (444.105642)


   

3',4'-dihydroxy-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecane]-3,9',13'-trione

3',4'-dihydroxy-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecane]-3,9',13'-trione

C18H24N2O7S2 (444.1024874)


   

(1'r,2r,3's,4's,5r,7'r)-3',4'-dihydroxy-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecane]-3,9',13'-trione

(1'r,2r,3's,4's,5r,7'r)-3',4'-dihydroxy-10'-(hydroxymethyl)-4,4,5,14'-tetramethyl-11',12'-dithia-8',14'-diazaspiro[oxolane-2,5'-tetracyclo[8.2.2.0¹,⁸.0³,⁷]tetradecane]-3,9',13'-trione

C18H24N2O7S2 (444.1024874)