Ethyl-8-azido-5,6-dihydro-5-methyl-6-oxo-4H-imidazo-1,4-benzodiazepine-3-carboxylate (BioDeep_00000841708)

   


代谢物信息卡片


Ethyl-8-azido-5,6-dihydro-5-methyl-6-oxo-4H-imidazo-1,4-benzodiazepine-3-carboxylate

化学式: C15H14N6O3 (326.1127334)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CCOC(=O)C1=C2CN(C(=O)C3=C(N2C=N1)C=CC(=C3)N=[N+]=[N-])C
InChI: InChI=1S/C15H14N6O3/c1-3-24-15(23)13-12-7-20(2)14(22)10-6-9(18-19-16)4-5-11(10)21(12)8-17-13/h4-6,8H,3,7H2,1-2H3

描述信息

D019995 - Laboratory Chemicals > D007202 - Indicators and Reagents > D000345 - Affinity Labels
Ro15-4513, imidazobenzodiazepinone derivative, is a partial inverse agonist of benzodiazepine receptor (BZR)[1]. Ro15-4513 is a potent ethanol antagonist[2]. Ro15-4513 has anti-anxiety effect[3]. Ro15-4513 is a click chemistry reagent, it contains an Azide group and can undergo copper-catalyzed azide-alkyne cycloaddition reaction (CuAAc) with molecules containing Alkyne groups. Strain-promoted alkyne-azide cycloaddition (SPAAC) can also occur with molecules containing DBCO or BCN groups.

同义名列表

2 个代谢物同义名

Ethyl-8-azido-5,6-dihydro-5-methyl-6-oxo-4H-imidazo-1,4-benzodiazepine-3-carboxylate; Ro15-4513



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代谢反应

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文献列表

  • Mark J Henderson, Kathleen A Trychta, Shyh-Ming Yang, Susanne Bäck, Adam Yasgar, Emily S Wires, Carina Danchik, Xiaokang Yan, Hideaki Yano, Lei Shi, Kuo-Jen Wu, Amy Q Wang, Dingyin Tao, Gergely Zahoránszky-Kőhalmi, Xin Hu, Xin Xu, David Maloney, Alexey V Zakharov, Ganesha Rai, Fumihiko Urano, Mikko Airavaara, Oksana Gavrilova, Ajit Jadhav, Yun Wang, Anton Simeonov, Brandon K Harvey. A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome. Cell reports. 2021 04; 35(4):109040. doi: 10.1016/j.celrep.2021.109040. [PMID: 33910017]
  • Ali Y Benkherouf, Nora Logrén, Tamara Somborac, Maaria Kortesniemi, Sanna L Soini, Baoru Yang, Outi M H Salo-Ahen, Oskar Laaksonen, Mikko Uusi-Oukari. Hops compounds modulatory effects and 6-prenylnaringenin dual mode of action on GABAA receptors. European journal of pharmacology. 2020 Apr; 873(?):172962. doi: 10.1016/j.ejphar.2020.172962. [PMID: 32001220]
  • Colm J McGinnity, Daniela A Riaño Barros, Lula Rosso, Mattia Veronese, Gaia Rizzo, Alessandra Bertoldo, Rainer Hinz, Federico E Turkheimer, Matthias J Koepp, Alexander Hammers. Test-retest reproducibility of quantitative binding measures of [11C]Ro15-4513, a PET ligand for GABAA receptors containing alpha5 subunits. NeuroImage. 2017 05; 152(?):270-282. doi: 10.1016/j.neuroimage.2016.12.038. [PMID: 28292717]
  • T Kida, J Noguchi, M-R Zhang, T Suhara, K Suzuki. Metabolite analysis of [11C]Ro15-4513 in mice, rats, monkeys and humans. Nuclear medicine and biology. 2003 Oct; 30(7):779-84. doi: 10.1016/s0969-8051(03)00059-3. [PMID: 14499337]
  • Anne Lingford-Hughes, Susan P Hume, Adrian Feeney, Ella Hirani, Safiye Osman, Vincent J Cunningham, Victor W Pike, David J Brooks, David J Nutt. Imaging the GABA-benzodiazepine receptor subtype containing the alpha5-subunit in vivo with [11C]Ro15 4513 positron emission tomography. Journal of cerebral blood flow and metabolism : official journal of the International Society of Cerebral Blood Flow and Metabolism. 2002 Jul; 22(7):878-89. doi: 10.1097/00004647-200207000-00013. [PMID: 12142573]
  • M Jechlinger, R Pelz, V Tretter, T Klausberger, W Sieghart. Subunit composition and quantitative importance of hetero-oligomeric receptors: GABAA receptors containing alpha6 subunits. The Journal of neuroscience : the official journal of the Society for Neuroscience. 1998 Apr; 18(7):2449-57. doi: 10.1523/jneurosci.18-07-02449.1998. [PMID: 9502805]
  • S B Pruett, S D Collier, W J Wu. Ethanol-induced activation of the hypothalamic-pituitary-adrenal axis in a mouse model for binge drinking: role of Ro15-4513-sensitive gamma aminobutyric acid receptors, tolerance, and relevance to humans. Life sciences. 1998; 63(13):1137-46. doi: 10.1016/s0024-3205(98)00375-0. [PMID: 9763209]
  • C A Hauser, C H Wetzel, B Berning, F M Gerner, R Rupprecht. Flunitrazepam has an inverse agonistic effect on recombinant alpha6beta2gamma2-GABAA receptors via a flunitrazepam-binding site. The Journal of biological chemistry. 1997 May; 272(18):11723-7. doi: 10.1074/jbc.272.18.11723. [PMID: 9115225]
  • P Scholze, V Ebert, W Sieghart. Affinity of various ligands for GABAA receptors containing alpha 4 beta 3 gamma 2, alpha 4 gamma 2, or alpha 1 beta 3 gamma 2 subunits. European journal of pharmacology. 1996 May; 304(1-3):155-62. doi: 10.1016/0014-2999(96)00088-x. [PMID: 8813598]
  • V Ebert, P Scholze, W Sieghart. Extensive heterogeneity of recombinant gamma-aminobutyric acidA receptors expressed in alpha 4 beta 3 gamma 2-transfected human embryonic kidney 293 cells. Neuropharmacology. 1996; 35(9-10):1323-30. doi: 10.1016/s0028-3908(96)00062-7. [PMID: 9014148]
  • W B Im, J F Pregenzer, J A Binder, G H Dillon, G L Alberts. Chloride channel expression with the tandem construct of alpha 6-beta 2 GABAA receptor subunit requires a monomeric subunit of alpha 6 or gamma 2. The Journal of biological chemistry. 1995 Nov; 270(44):26063-6. doi: 10.1074/jbc.270.44.26063. [PMID: 7592805]
  • E R Korpi, P H Seeburg. Natural mutation of GABAA receptor alpha 6 subunit alters benzodiazepine affinity but not allosteric GABA effects. European journal of pharmacology. 1993 Sep; 247(1):23-7. doi: 10.1016/0922-4106(93)90133-t. [PMID: 8258357]
  • G Wong, K F Koehler, P Skolnick, Z Q Gu, S Ananthan, P Schönholzer, W Hunkeler, W Zhang, J M Cook. Synthetic and computer-assisted analysis of the structural requirements for selective, high-affinity ligand binding to diazepam-insensitive benzodiazepine receptors. Journal of medicinal chemistry. 1993 Jun; 36(13):1820-30. doi: 10.1021/jm00065a004. [PMID: 8390574]
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  • G Wong, P Skolnick. Ro 15-4513 binding to GABAA receptors: subunit composition determines ligand efficacy. Pharmacology, biochemistry, and behavior. 1992 May; 42(1):107-10. doi: 10.1016/0091-3057(92)90454-n. [PMID: 1326771]
  • G Wong, P Skolnick. High affinity ligands for 'diazepam-insensitive' benzodiazepine receptors. European journal of pharmacology. 1992 Jan; 225(1):63-8. doi: 10.1016/0922-4106(92)90040-3. [PMID: 1311690]
  • C Kleingoor, M Ewert, G von Blankenfeld, P H Seeburg, H Kettenmann. Inverse but not full benzodiazepine agonists modulate recombinant alpha 6 beta 2 gamma 2 GABAA receptors in transfected human embryonic kidney cells. Neuroscience letters. 1991 Sep; 130(2):169-72. doi: 10.1016/0304-3940(91)90389-b. [PMID: 1665550]
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