Rimegepant (BioDeep_00000229505)

   

human metabolite


代谢物信息卡片


(5S,6S,9R)-5-amino-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta(b)pyridin-9-yl 4-(2-oxo-2,3-dihydro-1H-imidazo(4,5-b)pyridin-1-yl)piperidine-1-carboxylate

化学式: C28H28F2N6O3 (534.2190842)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C1CC(C2=C(C=CC=N2)C(C1C3=C(C(=CC=C3)F)F)N)OC(=O)N4CCC(CC4)N5C6=C(NC5=O)N=CC=C6
InChI: InChI=1S/C28H28F2N6O3/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37)/t18-,22+,24-/m0/s1

描述信息

N - Nervous system > N02 - Analgesics > N02C - Antimigraine preparations > N02CD - Calcitonin gene-related peptide (cgrp) antagonists
C78272 - Agent Affecting Nervous System > C241 - Analgesic Agent

同义名列表

5 个代谢物同义名

(5S,6S,9R)-5-amino-6-(2,3-Difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta(b)pyridin-9-yl 4-(2-oxo-2,3-dihydro-1H-imidazo(4,5-b)pyridin-1-yl)piperidine-1-carboxylate; (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-9-yl 4-{2-oxo-1H,2H,3H-imidazo[4,5-b]pyridin-1-yl}piperidine-1-carboxylate; (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-5H,6H,7H,8H,9H-cyclohepta[b]pyridin-9-yl 4-{2-oxo-3H-imidazo[4,5-b]pyridin-1-yl}piperidine-1-carboxylate; BMS-927711RIMEGEPANT; Rimegepant



数据库引用编号

6 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

BioCyc(0)

PlantCyc(0)

代谢反应

0 个相关的代谢反应过程信息。

Reactome(0)

BioCyc(0)

WikiPathways(0)

Plant Reactome(0)

INOH(0)

PlantCyc(0)

COVID-19 Disease Map(0)

PathBank(0)

PharmGKB(0)

1 个相关的物种来源信息

在这里通过桑基图来展示出与当前的这个代谢物在我们的BioDeep知识库中具有相关联信息的其他代谢物。在这里进行关联的信息来源主要有：

  • PubMed: 来源于PubMed文献库中的文献信息，我们通过自然语言数据挖掘得到的在同一篇文献中被同时提及的相关代谢物列表，这个列表按照代谢物同时出现的文献数量降序排序，取前10个代谢物作为相关研究中关联性很高的代谢物集合展示在桑基图中。
  • NCBI Taxonomy: 通过文献数据挖掘，得到的代谢物物种来源信息关联。这个关联信息同样按照出现的次数降序排序，取前10个代谢物作为高关联度的代谢物集合展示在桑吉图上。
  • Chemical Taxonomy: 在物质分类上处于同一个分类集合中的其他代谢物
  • Chemical Reaction: 在化学反应过程中，存在为当前代谢物相关联的生化反应过程中的反应底物或者反应产物的关联代谢物信息。

点击图上的相关代谢物的名称，可以跳转到相关代谢物的信息页面。



文献列表

  • Rajinder Bhardwaj, Julie L Collins, Joseph Stringfellow, Jennifer Madonia, Matt S Anderson, Jeri-Anne Finley, David A Stock, Vladimir Coric, Robert Croop, Richard Bertz. P-Glycoprotein and Breast Cancer Resistance Protein Transporter Inhibition by Cyclosporine and Quinidine on the Pharmacokinetics of Oral Rimegepant in Healthy Subjects. Clinical pharmacology in drug development. 2022 07; 11(7):889-897. doi: 10.1002/cpdd.1088. [PMID: 35304977]
  • Teresa E Baker, Robert Croop, Lisa Kamen, Patty Price, David A Stock, Andrea Ivans, Rajinder Bhardwaj, Matt S Anderson, Jennifer Madonia, Joseph Stringfellow, Richard Bertz, Vladimir Coric, Thomas W Hale. Human Milk and Plasma Pharmacokinetics of Single-Dose Rimegepant 75 mg in Healthy Lactating Women. Breastfeeding medicine : the official journal of the Academy of Breastfeeding Medicine. 2022 03; 17(3):277-282. doi: 10.1089/bfm.2021.0250. [PMID: 35049333]
  • Naiyu Zheng, Jianing Zeng, Billy Akinsanya, Adela Buzescu, Yuan-Qing Xia, Van Ly, Kevin Trouba, Qianping Peng, Anne-Françoise Aubry, Mark E Arnold. A rapid, accurate and robust UHPLC-MS/MS method for quantitative determination of BMS-927711, a CGRP receptor antagonist, in plasma in support of non-clinical toxicokinetic studies. Journal of pharmaceutical and biomedical analysis. 2013 Sep; 83(?):237-48. doi: 10.1016/j.jpba.2013.05.019. [PMID: 23770636]