기본 정보
- CAS
618430-39-0- 표준 SMILES
Cc1ccc(C(=O)N(CCCN)[C@@H](c2oc3cc(Cl)ccc3c(=O)c2Cc2ccccc2)C(C)C)cc1- InChIKey
PGXYIBJJCLWJST-MUUNZHRXSA-N- 분자식
- C31H33ClN2O3
- 평균 분자량
- 517.1 g/mol
- 단동위원소 질량
- 516.2179706
개요
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.
이름 및 식별자
- 우선 이름
- Sb-743921
- IUPAC
- N-(3-aminopropyl)-N-[(1R)-1-(3-benzyl-7-chloro-4-oxochromen-2-yl)-2-methylpropyl]-4-methylbenzamide
- 영어명
- SB-743291
- 분자식
- C31H33ClN2O3
- 분자량
- 517.06
이름 및 동의어
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
이름 더 보기
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)
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 6.2
- 극성 표면적
- 72.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 813
물리화학적 성질
- 끓는 점
- 683 · 683.0±55.0 °C(Predicted)
- 밀도
- 1.216 · 1.216±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.73 · 9.73±0.10(Predicted)
화학 및 산업
공급사10 곳
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
江苏南创化学与生命健康研究院有限公司15720605021 · [email protected]
南京思诺康科技有限公司13891683844 13891683844 · [email protected]
南京药石科技股份有限公司4000255188 · [email protected]
武汉艾瑞尔化学科技有限公司18986259541 18986259541 · [email protected]
Wuhan NCE Biomedical Co.,Ltd.4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
斯派螺（武汉）药物研发有限公司[email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
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