beta-CIT (BioDeep_00000176624)

human metabolite blood metabolite

代谢物信息卡片

3-(4-Iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester

化学式: C16H20INO2 (385.053873)
中文名称:
谱图信息: 最多检出来源 Homo sapiens(blood) 92.86%

分子结构信息

SMILES: CN1C2CCC1C(C(C2)C3=CC=C(C=C3)I)C(=O)OC
InChI: InChI=1S/C16H20INO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3

描述信息

同义名列表

5 个代谢物同义名

3-(4-Iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylic acid methyl ester; methyl 3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate; beta-CIT; b-CIT; Β-cit

数据库引用编号

4 个数据库交叉引用编号

PubChem: 9952054
HMDB: HMDB0249114
ChEMBL: CHEMBL14391
chemspider: 8127665

分类词条

Phenyltropanes

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

9606 - Homo sapiens: -

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

Gilles Tamagnan, David Alagille, Xing Fu, Nora S Kula, Ross J Baldessarini, Robert B Innis, Ronald M Baldwin. Synthesis and monoamine transporter affinity of new 2beta-carbomethoxy-3beta-[4-(substituted thiophenyl)]phenyltropanes: discovery of a selective SERT antagonist with picomolar potency. Bioorganic & medicinal chemistry letters. 2005 Feb; 15(4):1131-3. doi: 10.1016/j.bmcl.2004.12.014. [PMID: 15686927]
P C Meltzer, A Y Liang, P Blundell, M D Gonzalez, Z Chen, C George, B K Madras. 2-Carbomethoxy-3-aryl-8-oxabicyclo[3.2.1]octanes: potent non-nitrogen inhibitors of monoamine transporters. Journal of medicinal chemistry. 1997 Aug; 40(17):2661-73. doi: 10.1021/jm9703045. [PMID: 9276012]
C R Holmquist, K I Keverline-Frantz, P Abraham, J W Boja, M J Kuhar, F I Carroll. 3 alpha-(4'-substituted phenyl)tropane-2 beta-carboxylic acid methyl esters: novel ligands with high affinity and selectivity at the dopamine transporter. Journal of medicinal chemistry. 1996 Oct; 39(21):4139-41. doi: 10.1021/jm960515u. [PMID: 8863789]
J L Neumeyer, G Tamagnan, S Wang, Y Gao, R A Milius, N S Kula, R J Baldessarini. N-substituted analogs of 2 beta-carbomethoxy-3 beta- (4'-iodophenyl)tropane (beta-CIT) with selective affinity to dopamine or serotonin transporters in rat forebrain. Journal of medicinal chemistry. 1996 Jan; 39(2):543-8. doi: 10.1021/jm9505324. [PMID: 8558525]
F I Carroll, P Kotian, A Dehghani, J L Gray, M A Kuzemko, K A Parham, P Abraham, A H Lewin, J W Boja, M J Kuhar. Cocaine and 3 beta-(4'-substituted phenyl)tropane-2 beta-carboxylic acid ester and amide analogues. New high-affinity and selective compounds for the dopamine transporter. Journal of medicinal chemistry. 1995 Jan; 38(2):379-88. doi: 10.1021/jm00002a020. [PMID: 7830281]