nelivaptan (BioDeep_00000412952)

   


代谢物信息卡片


nelivaptan

化学式: C30H32ClN3O8S (629.1598542)
中文名称:
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: CN(C)C(=O)C1CC(CN1C2(C3=C(C=CC(=C3)Cl)N(C2=O)S(=O)(=O)C4=C(C=C(C=C4)OC)OC)C5=CC=CC=C5OC)O
InChI: InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1

描述信息

CONFIDENCE standard compound; INTERNAL_ID 391; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9489; ORIGINAL_PRECURSOR_SCAN_NO 9486
C147908 - Hormone Therapy Agent > C547 - Hormone Antagonist > C2180 - Vasopressin Antagonist
CONFIDENCE standard compound; INTERNAL_ID 391; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9515; ORIGINAL_PRECURSOR_SCAN_NO 9511
CONFIDENCE standard compound; INTERNAL_ID 391; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9534; ORIGINAL_PRECURSOR_SCAN_NO 9531
CONFIDENCE standard compound; INTERNAL_ID 391; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9547; ORIGINAL_PRECURSOR_SCAN_NO 9544
CONFIDENCE standard compound; INTERNAL_ID 391; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9520; ORIGINAL_PRECURSOR_SCAN_NO 9516
CONFIDENCE standard compound; INTERNAL_ID 391; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 9563; ORIGINAL_PRECURSOR_SCAN_NO 9558

同义名列表

1 个代谢物同义名

nelivaptan



数据库引用编号

11 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)

0 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

  • Bin Wang, Jian Zhou, Yan-Yan Zhuang, Liang-Liang Wang, Jin-Xian Pu, Yu-Hua Huang, Fei Xia, Jin-Xing Lv. The Non-Peptide Vasopressin V1b Receptor Antagonist, SSR149415, Ameliorates Spermatogenesis Function in a Mouse Model of Chronic Social Defeat Stress. Journal of cellular biochemistry. 2017 11; 118(11):3891-3898. doi: 10.1002/jcb.26040. [PMID: 28390185]
  • Adriana T Ramos, Sergio Tufik, Lanfranco R P Troncone. Control of Stress-Induced ACTH Secretion by Vasopressin and CRH: Additional Evidence. Neuropsychobiology. 2016; 73(3):184-90. doi: 10.1159/000445480. [PMID: 27221315]
  • Kabirullah Lutfy, Otaren Aimiuwu, Michael Mangubat, Chang-Sung Shin, Namiko Nerio, Richard Gomez, Yanjun Liu, Theodore C Friedman. Nicotine stimulates secretion of corticosterone via both CRH and AVP receptors. Journal of neurochemistry. 2012 Mar; 120(6):1108-16. doi: 10.1111/j.1471-4159.2011.07633.x. [PMID: 22191943]
  • Laurent Ferrier, Claudine Serradeil-Le Gal, Anke M Schulte, Valentina Vasina, Eric Gaultier, Silke Schroedel, Maria Grazia Ursino, Gilles Chaumaz, Marc Pascal, Fabrizio De Ponti, Lionel Bueno. Proinflammatory role of vasopressin through V1b receptors in hapten-induced experimental colitis in rodents: implication in IBD. American journal of physiology. Gastrointestinal and liver physiology. 2010 Dec; 299(6):G1298-307. doi: 10.1152/ajpgi.00022.2010. [PMID: 20864658]
  • Jun Chen, Sharla Young, Sivan Subburaju, Jack Sheppard, Alexander Kiss, Helen Atkinson, Susan Wood, Stafford Lightman, Claudine Serradeil-Le Gal, Greti Aguilera. Vasopressin does not mediate hypersensitivity of the hypothalamic pituitary adrenal axis during chronic stress. Annals of the New York Academy of Sciences. 2008 Dec; 1148(?):349-59. doi: 10.1196/annals.1410.037. [PMID: 19120128]
  • Adriana T Ramos, Lanfranco R P Troncone, Sergio Tufik. Suppression of adrenocorticotrophic hormone secretion by simultaneous antagonism of vasopressin 1b and CRH-1 receptors on three different stress models. Neuroendocrinology. 2006; 84(5):309-16. doi: 10.1159/000097587. [PMID: 17135717]
  • Jessica Robert, Colette Auzan, Maria Angeles Ventura, Eric Clauser. Mechanisms of cell-surface rerouting of an endoplasmic reticulum-retained mutant of the vasopressin V1b/V3 receptor by a pharmacological chaperone. The Journal of biological chemistry. 2005 Dec; 280(51):42198-206. doi: 10.1074/jbc.m510180200. [PMID: 16210325]
  • Claudine Serradeil-Le Gal, Jean Wagnon, Jacques Simiand, Guy Griebel, Colette Lacour, Gilles Guillon, Claude Barberis, Gabrielle Brossard, Philippe Soubrié, Dino Nisato, Marc Pascal, Rebecca Pruss, Bernard Scatton, Jean-Pierre Maffrand, Gérard Le Fur. Characterization of (2S,4R)-1-[5-chloro-1-[(2,4-dimethoxyphenyl)sulfonyl]-3-(2-methoxy-phenyl)-2-oxo-2,3-dihydro-1H-indol-3-yl]-4-hydroxy-N,N-dimethyl-2-pyrrolidine carboxamide (SSR149415), a selective and orally active vasopressin V1b receptor antagonist. The Journal of pharmacology and experimental therapeutics. 2002 Mar; 300(3):1122-30. doi: 10.1124/jpet.300.3.1122. [PMID: 11861823]
  • C Serradeil-Le Gal, J Wagnon, G Valette, G Garcia, M Pascal, J P Maffrand, G Le Fur. Nonpeptide vasopressin receptor antagonists: development of selective and orally active V1a, V2 and V1b receptor ligands. Progress in brain research. 2002; 139(?):197-210. doi: 10.1016/s0079-6123(02)39017-4. [PMID: 12436936]