基本情報
- CAS
1427472-75-0- 標準SMILES
CCn1c(=O)/c(=C2\Sc3ccccc3N2C)s/c1=C\c1cccc[n+]1CC.[Cl-]- InChIKey
VSKYOTRJSLYFHX-UXJRWBAGSA-M- 分子式
- C21H22ClN3OS2
- 平均分子量
- 432 g/mol
- 単同位体質量
- 431.0892824
概要
Rhodacyanine Analog MKT-077 is a synthetic heterocyclic pyridinium compound. MKT-077 is a water soluble lipophilic cationic molecule and an analog of rhodacyanine dye, which partitions into tumor cell mitochondria where it is thought to act as a metabolic poison, leading to G1 arrest and apoptosis. This agent also shows selective cytotoxicity to cancer cells mediated by its binding to the hsp70 family protein mot-2 and reactivation of tumor suppressor p53 function.
名称と識別子
- 優先名称
- Mkt-077
- IUPAC
- (2Z,5E)-3-ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one chloride
名称と別名
MKT-0778PF5ZXI0JESDZ-MKT-077FJ-776SDZ MKT 0771427472-75-0Pyridinium, 1-ethyl-2-((3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene)methyl)-, chloride (1:1)Pyridinium, 1-ethyl-2-[[3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]methyl]-, chloride (1:1)RefChem:925978147366-41-4Mkt 077(2Z,5E)-3-Ethyl-2-[(1-ethylpyridin-1-ium-2-yl)methylidene]-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one;chloride
名称をさらに表示
MKT 077 [WHO-DD]MKT077CHEMBL33859FJ 7761-Ethyl-2-[[3-ethyl-5-(3-methyl-2(3H)-benzothiazolylidene)-4-oxo-2-thiazolidinylidene]methyl]pyridinium chloride (1:1)UNII-8PF5ZXI0JESCHEMBL293916941-Ethyl-2-((Z)-((Z)-3-ethyl-5-(3-methylbenzo[d]thiazol-2(3H)-ylidene)-4-oxothiazolidin-2-ylidene)methyl)pyridin-1-ium chloride
データベース識別子
- CAS
1427472-75-0、147366-41-4- PubChem CID
- 6444403
- ChEMBL
CHEMBL33859- UNII
物性
構造計算による物性
- 極性表面積
- 78 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 3
- 重原子数
- 28
- 形式電荷
- 0
- 複雑度
- 647
関連反応
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