Degarelix (BioDeep_00000033365)

   

human metabolite blood metabolite Chemicals and Drugs


代谢物信息卡片


(2S)-2-{[(2R)-2-{[(2S)-2-{[(2S)-2-{[(2R)-2-{[(2R)-3-(4-chlorophenyl)-1-hydroxy-2-{[(2R)-1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-(naphthalen-2-yl)propylidene]amino}propylidene]amino}-1-hydroxy-3-(pyridin-3-yl)propylidene]amino}-1,3-dihydroxypropylidene]amino}-3-{4-[(4R)-2,6-dihydroxy-4,5-dihydropyrimidine-4-amido]phenyl}-1-hydroxypropylidene]amino}-1-hydroxy-3-{4-[(C-hydroxycarbonimidoyl)amino]phenyl}propylidene]amino}-N-[(2S)-1-(2-{[(1R)-1-(C-hydroxycarbonimidoyl)ethyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl)-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]-4-methylpentanimidate

化学式: C82H103ClN18O16 (1630.7487588000001)
中文名称: 地加瑞克
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CC(C)CC(C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)NC(=O)N)NC(=O)C(CC3=CC=C(C=C3)NC(=O)C4CC(=O)NC(=O)N4)NC(=O)C(CO)NC(=O)C(CC5=CN=CC=C5)NC(=O)C(CC6=CC=C(C=C6)Cl)NC(=O)C(CC7=CC8=CC=CC=C8C=C7)NC(=O)C
InChI: InChI=1S/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66-,67+,68?/m1/s1

描述信息

Degarelix is used for the treatment of advanced prostate cancer. Degarelix is a synthetic peptide derivative drug which binds to gonadotropin-releasing hormone(GnRH) receptors in the pituitary gland and blocks their interaction with GnRH. This antagonism reduces luteinising hormone (LH), follicle-stimulating hormone (FSH) and in turn, testosterone suppression. Reduction in testosterone is important in treating men with advanced prostate cancer.
Degarelix is a competitive and reversible gonadotropin-releasing hormone receptor (GnRHR/LHRHR) antagonist. Degarelix can be used for prostate cancer research[1].

同义名列表

4 个代谢物同义名

(2S)-2-{[(2R)-2-{[(2S)-2-{[(2S)-2-{[(2R)-2-{[(2R)-3-(4-chlorophenyl)-1-hydroxy-2-{[(2R)-1-hydroxy-2-[(1-hydroxyethylidene)amino]-3-(naphthalen-2-yl)propylidene]amino}propylidene]amino}-1-hydroxy-3-(pyridin-3-yl)propylidene]amino}-1,3-dihydroxypropylidene]amino}-3-{4-[(4R)-2,6-dihydroxy-4,5-dihydropyrimidine-4-amido]phenyl}-1-hydroxypropylidene]amino}-1-hydroxy-3-{4-[(C-hydroxycarbonimidoyl)amino]phenyl}propylidene]amino}-N-[(2S)-1-(2-{[(1R)-1-(C-hydroxycarbonimidoyl)ethyl]-C-hydroxycarbonimidoyl}pyrrolidin-1-yl)-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]-4-methylpentanimidate; (4R)-N-{4-[(2S)-2-{[(1R)-2-[4-(carbamoylamino)phenyl]-1-{[(1S)-1-{[(2S)-1-(2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl)-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]carbamoyl}-3-methylbutyl]carbamoyl}ethyl]carbamoyl}-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxypropanamido]ethyl]phenyl}-2,6-dioxo-1,3-diazinane-4-carboxamide; Ac-D-2Nal-D-Phe(4-Cl)-D-3Pal-Ser-Phe(4-R-dihydroorotamido)-D-Phe(4-ureido)-Leu-Lys(iPr)-DL-Pro-D-Ala-NH2; Degarelix



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1 个相关的物种来源信息

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