Zenarestat (BioDeep_00000271495)

Volatile Flavor Compounds

代谢物信息卡片

Zenarestat

化学式: C17H11BrClFN2O4 (439.9574708)
中文名称: 折那司他, 对硝基苯基二甲基磺酸盐
谱图信息: 最多检出来源 () 0%

分子结构信息

SMILES: C1=CC2=C(C=C1Cl)N(C(=O)N(C2=O)CC3=C(C=C(C=C3)Br)F)CC(=O)O
InChI: InChI=1S/C17H11BrClFN2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24)

描述信息

CONFIDENCE standard compound; INTERNAL_ID 222; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5222; ORIGINAL_PRECURSOR_SCAN_NO 5217
C471 - Enzyme Inhibitor > C72880 - Aldose Reductase Inhibitor
D004791 - Enzyme Inhibitors
CONFIDENCE standard compound; INTERNAL_ID 222; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5223; ORIGINAL_PRECURSOR_SCAN_NO 5219
CONFIDENCE standard compound; INTERNAL_ID 222; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5251; ORIGINAL_PRECURSOR_SCAN_NO 5249
INTERNAL_ID 222; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5251; ORIGINAL_PRECURSOR_SCAN_NO 5249
CONFIDENCE standard compound; INTERNAL_ID 222; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5241; ORIGINAL_PRECURSOR_SCAN_NO 5240
CONFIDENCE standard compound; INTERNAL_ID 222; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5313; ORIGINAL_PRECURSOR_SCAN_NO 5312
INTERNAL_ID 222; CONFIDENCE standard compound; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5236; ORIGINAL_PRECURSOR_SCAN_NO 5232
CONFIDENCE standard compound; INTERNAL_ID 222; DATASET 20200303_ENTACT_RP_MIX505; DATA_PROCESSING MERGING RMBmix ver. 0.2.7; DATA_PROCESSING PRESCREENING Shinyscreen ver. 0.8.0; ORIGINAL_ACQUISITION_NO 5236; ORIGINAL_PRECURSOR_SCAN_NO 5232

同义名列表

2 个代谢物同义名

Zenarestat; p-Nitrophenyl dimethylsulphamate

数据库引用编号

13 个数据库交叉引用编号

KEGGdrug: D03807
PubChem: 5724
DrugBank: DB02132
ChEMBL: CHEMBL10413
CAS: 112733-06-9
CAS: 1142-27-4
MoNA: LU022256
MoNA: LU022255
MoNA: LU022254
MoNA: LU022253
MoNA: LU022252
MoNA: LU022251
PMhub: MS000002594

分类词条

苯环型化合物

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

Mark J Henderson, Kathleen A Trychta, Shyh-Ming Yang, Susanne Bäck, Adam Yasgar, Emily S Wires, Carina Danchik, Xiaokang Yan, Hideaki Yano, Lei Shi, Kuo-Jen Wu, Amy Q Wang, Dingyin Tao, Gergely Zahoránszky-Kőhalmi, Xin Hu, Xin Xu, David Maloney, Alexey V Zakharov, Ganesha Rai, Fumihiko Urano, Mikko Airavaara, Oksana Gavrilova, Ajit Jadhav, Yun Wang, Anton Simeonov, Brandon K Harvey. A target-agnostic screen identifies approved drugs to stabilize the endoplasmic reticulum-resident proteome. Cell reports. 2021 04; 35(4):109040. doi: 10.1016/j.celrep.2021.109040. [PMID: 33910017]
Satish K Srivastava, Kota V Ramana, Aruni Bhatnagar. Role of aldose reductase and oxidative damage in diabetes and the consequent potential for therapeutic options. Endocrine reviews. 2005 May; 26(3):380-92. doi: 10.1210/er.2004-0028. [PMID: 15814847]
Yukio Kato, Kiyoka Kuge, Hiroyuki Kusuhara, Peter J Meier, Yuichi Sugiyama. Gender difference in the urinary excretion of organic anions in rats. The Journal of pharmacology and experimental therapeutics. 2002 Aug; 302(2):483-9. doi: 10.1124/jpet.102.033878. [PMID: 12130705]
Y Tanaka, H Shimojyo, T Hata, M Hashimoto, H Noguchi. Toxicokinetics of zenarestat, an aldose reductase inhibitor in animals and man. Xenobiotica; the fate of foreign compounds in biological systems. 1994 May; 24(5):461-71. doi: 10.3109/00498259409043249. [PMID: 8079505]
Y Tanaka, A Suzuki. Enzymatic hydrolysis of zenarestat 1-O-acylglucuronide. The Journal of pharmacy and pharmacology. 1994 Mar; 46(3):235-9. doi: 10.1111/j.2042-7158.1994.tb03786.x. [PMID: 8027935]
M Kanamaru, T Uematsu, S Nagashima, A Mizuno, M Terakawa, A Sugiyama, M Nakashima. Aldose reductase inhibitory and uricosuric activities of FK366 in healthy volunteers. Journal of clinical pharmacology. 1993 Nov; 33(11):1122-31. doi: 10.1002/j.1552-4604.1993.tb01950.x. [PMID: 8300896]
S Sato, P F Kador. Human kidney aldose and aldehyde reductases. Journal of diabetes and its complications. 1993 Jul; 7(3):179-87. doi: 10.1016/1056-8727(93)90043-x. [PMID: 8343612]
Y Tanaka, T Sawamoto, A Suzuki, T Kimura. Pharmacokinetics of zenarestat, an aldose reductase inhibitor, in male and female diabetic rats. Drug metabolism and disposition: the biological fate of chemicals. 1993 Jul; 21(4):677-81. doi: NULL. [PMID: 8104128]
Y Tanaka, M Sekiguchi, T Sawamoto, Y Katami, T Ueda, Y Esumi, K Noda. Absorption, distribution and excretion of zenarestat, a new aldose reductase inhibitor, in rats and dogs. Xenobiotica; the fate of foreign compounds in biological systems. 1992 Jan; 22(1):57-64. doi: 10.3109/00498259209053103. [PMID: 1615708]
Y Tanaka, Y Kadoh, H Ishikawa. Effects of hypophysectomy and testosterone treatment on the urinary excretion of zenarestat in rats. Xenobiotica; the fate of foreign compounds in biological systems. 1992 Jan; 22(1):51-5. doi: 10.3109/00498259209053102. [PMID: 1615707]
Y Tanaka, Y Kadoh, S Mukumoto, H Ishikawa. The role of age and sex hormones on the urinary excretion of zenarestat in rats. Xenobiotica; the fate of foreign compounds in biological systems. 1991 Oct; 21(10):1273-9. doi: 10.3109/00498259109043202. [PMID: 1796605]
Y Tanaka, Y Deguchi, I Ishii, T Terai. Sex differences in excretion of zenarestat in rat. Xenobiotica; the fate of foreign compounds in biological systems. 1991 Sep; 21(9):1119-25. doi: 10.3109/00498259109039552. [PMID: 1788980]
S Ao, Y Shingu, C Kikuchi, Y Takano, K Nomura, T Fujiwara, Y Ohkubo, Y Notsu, I Yamaguchi. Characterization of a novel aldose reductase inhibitor, FR74366, and its effects on diabetic cataract and neuropathy in the rat. Metabolism: clinical and experimental. 1991 Jan; 40(1):77-87. doi: 10.1016/0026-0495(91)90196-4. [PMID: 1898618]