Netupitant (BioDeep_00000181634)

   

human metabolite blood metabolite


代谢物信息卡片


2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide

化学式: C30H32F6N4O (578.2480174)
中文名称: 奈妥匹坦
谱图信息: 最多检出来源 Homo sapiens(blood) 50%

分子结构信息

SMILES: CC1=CC=CC=C1C2=CC(=NC=C2N(C)C(=O)C(C)(C)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)N4CCN(CC4)C
InChI: InChI=1S/C30H32F6N4O/c1-19-8-6-7-9-23(19)24-17-26(40-12-10-38(4)11-13-40)37-18-25(24)39(5)27(41)28(2,3)20-14-21(29(31,32)33)16-22(15-20)30(34,35)36/h6-9,14-18H,10-13H2,1-5H3

描述信息

C78272 - Agent Affecting Nervous System > C267 - Antiemetic Agent
Netupitant (CID-6451149) is a highly potent, selective and orally active neurokinin-1 (NK1) receptor antagonist with a Ki of 0.95 nM for hNK1 in CHO cells. Netupitant has antiemetic affect[1][2][3].

同义名列表

4 个代谢物同义名

2-[3,5-bis(trifluoromethyl)phenyl]-N,2-dimethyl-N-[4-(2-methylphenyl)-6-(4-methylpiperazin-1-yl)pyridin-3-yl]propanamide; ro-673189000Netupitant; Netupitant; CID 6451149



数据库引用编号

8 个数据库交叉引用编号

分类词条

相关代谢途径

Reactome(0)

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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。

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文献列表

  • Alan Hegron, Chloe J Peach, Raquel Tonello, Philipp Seemann, Shavonne Teng, Rocco Latorre, Harald Huebner, Dorothee Weikert, Jeanette Rientjes, Nicholas A Veldhuis, Daniel P Poole, Dane D Jensen, Alex R B Thomsen, Brian L Schmidt, Wendy L Imlach, Peter Gmeiner, Nigel W Bunnett. Therapeutic antagonism of the neurokinin 1 receptor in endosomes provides sustained pain relief. Proceedings of the National Academy of Sciences of the United States of America. 2023 05; 120(22):e2220979120. doi: 10.1073/pnas.2220979120. [PMID: 37216510]
  • R De Luca, C Volpe, O Mistretta, R Paci, G Ferrera, V Caputo, G Rosati, G Cicero. NEPA (netupitant/palonosetron) for the antiemetic prophylaxis of nausea and vomiting induced by chemotherapy (CINV) with Folfirinox and Folfoxiri even during the COVID-19 pandemic: a real-life study. European review for medical and pharmacological sciences. 2021 08; 25(16):5310-5317. doi: 10.26355/eurrev_202108_26552. [PMID: 34486707]
  • Sally Baron-Hay, Matti Aapro, Alberto Bernareggi, Lee Schwartzberg. Timing flexibility of oral NEPA, netupitant-palonosetron combination, administration for the prevention of chemotherapy-induced nausea and vomiting (CINV). Supportive care in cancer : official journal of the Multinational Association of Supportive Care in Cancer. 2019 Apr; 27(4):1309-1317. doi: 10.1007/s00520-019-4640-8. [PMID: 30685793]
  • James Gilmore, Alberto Bernareggi. Complementary Pharmacokinetic Profiles of Netupitant and Palonosetron Support the Rationale for Their Oral Fixed Combination for the Prevention of Chemotherapy-Induced Nausea and Vomiting. Journal of clinical pharmacology. 2019 04; 59(4):472-487. doi: 10.1002/jcph.1338. [PMID: 30412271]
  • Akihiko Osaki, Kenichi Inoue, Hiroshi Sakai, Kazuhiko Yamada, Koichi Minato, Fumiyoshi Ohyanagi, Yutaka Tokuda, Norihiko Ikeda, Hiroshi Kagamu, Kaoru Kubota, Tomohide Tamura, Toshiaki Saeki. A dose-finding randomized Phase II study of oral netupitant in combination with palonosetron .75 mg intravenous for the prevention of chemotherapy-induced nausea and vomiting in Japanese patients receiving highly emetogenic chemotherapy. Japanese journal of clinical oncology. 2019 Feb; 49(2):121-129. doi: 10.1093/jjco/hyy161. [PMID: 30576544]
  • Mingzhen Xu, Yang Ni, Shihong Li, Juan Du, Huqun Li, Ying Zhou, Weiyong Li, Hui Chen. Development and validation of a rapid LC-MS/MS method for simultaneous determination of netupitant and palonosetron in human plasma and its application to a pharmacokinetic study. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences. 2016 Aug; 1027(?):187-93. doi: 10.1016/j.jchromb.2016.05.051. [PMID: 27294531]
  • Tulla Spinelli, Selma Calcagnile, Claudio Giuliano, Giorgia Rossi, Corinna Lanzarotti, Stuart Mair, Lloyd Stevens, Ian Nisbet. Netupitant PET imaging and ADME studies in humans. Journal of clinical pharmacology. 2014 Jan; 54(1):97-108. doi: 10.1002/jcph.198. [PMID: 24122871]