Sb-743921
基本情報
- CAS
618430-39-0- 標準SMILES
Cc1ccc(C(=O)N(CCCN)[C@@H](c2oc3cc(Cl)ccc3c(=O)c2Cc2ccccc2)C(C)C)cc1- InChIKey
PGXYIBJJCLWJST-MUUNZHRXSA-N- 分子式
- C31H33ClN2O3
- 平均分子量
- 517.1 g/mol
- 単同位体質量
- 516.2179706
概要
SB-743921 is a chromone that is 4H-chromen-4-one substituted by (1R)-1-[(3-aminopropyl)(4-methylbenzoyl)amino]-2-methylpropyl, benzyl, and chloro groups at positions 2, 3, and 7, respectively. It is a potent inhibitor of kinesin spindle protein (Ki = 0.1 nM) and exhibits antineoplastic activity. It has a role as an antineoplastic agent, a microtubule-destabilising agent and an apoptosis inducer. It is a tertiary carboxamide, a member of benzamides, a member of benzenes, a member of chromones, a member of toluenes, an organochlorine compound and a primary amino compound.
名称と識別子
- 優先名称
- Sb-743921
- IUPAC
- N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]-4-methylbenzamide
- 英語名
- SB-743291
- 分子式
- C31H33ClN2O3
- 分子量
- 517.06
名称と別名
SB-743921SB-743921 free baseSB 743921UNII-24DSZ1VN92SB 743921 [WHO-DD]Benzamide, N-(3-aminopropyl)-N-((1R)-1-(7-chloro-4-oxo-3-(phenylmethyl)-4H-1-benzopyran-2-yl)-2-methylpropyl)-4-methyl-1067881-56-4Benzamide, N-(3-aminopropyl)-N-[(1R)-1-[7-chloro-4-oxo-3-(phenylmethyl)-4H-1-benzopyran-2-yl]-2-methylpropyl]-4-methyl-RefChem:181585KSP Inhibitor SB-743921940929-33-9SB743921
名称をさらに表示
SB921SB-921GSK-921SB-743291GSK-743921SB 743921 free base,SB743921 free base
618430-39-024DSZ1VN92N-(3-Aminopropyl)-N-[(1r)-1-(3-Benzyl-7-Chloro-4-Oxo-4h-Chromen-2-Yl)-2-Methylpropyl]-4-MethylbenzamideSB-743921 (free base)CHEMBL2325429N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]-4-methylbenzamide(R)-N-(3-Aminopropyl)-N-(1-(3-benzyl-7-chloro-4-oxo-4h-chromen-2-yl)-2-methylpropyl)-4-methylbenzamide618430-39-0 (free base)
データベース識別子
物性
構造計算による物性
- XLogP
- 6.2
- 極性表面積
- 72.6 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 4
- 回転可能結合数
- 9
- 重原子数
- 37
- 形式電荷
- 0
- 複雑度
- 813
物理化学的性質
- 沸点
- 683 · 683.0±55.0 °C(Predicted)
- 比重(密度)
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 9.73 · 9.73±0.10(Predicted)
関連反応
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