기본 정보
- CAS
1019889-35-0- 표준 SMILES
CC(C)c1cc(C(=O)N2Cc3ccc(CN4CCN(C)CC4)cc3C2)c(O)cc1O.C[C@H](O)C(=O)O- InChIKey
VYRWEWHOAMGLLW-WNQIDUERSA-N- 분자식
- C27H37N3O6
- 평균 분자량
- 499.6 g/mol
개요
Onalespib Lactate is the lactate form of onalespib, a synthetic, orally bioavailable, small-molecule inhibitor of heat shock protein 90 (Hsp90) with potential antineoplastic activity. Onalespib selectively binds to Hsp90, thereby inhibiting its chaperone function and promoting the degradation of oncogenic signaling proteins involved in tumor cell proliferation and survival. Hsp90, a chaperone protein upregulated in a variety of tumor cells, regulates the folding, stability and degradation of many oncogenic signaling proteins.
이름 및 식별자
- 우선 이름
- Onalespib Lactate
- IUPAC
- (2,4-dihydroxy-5-propan-2-ylphenyl)-[5-[(4-methylpiperazin-1-yl)methyl]-1,3-dihydroisoindol-2-yl]methanone;(2S)-2-hydroxypropanoic acid
- 영어명
- Givinostat Hydrochloride
- 분자식
- C27H37N3O6
- 분자량
- 499.61
이름 및 동의어
Onalespib lactateAT-13387 lactateOnalespib lactate [USAN]ATI-13387AUATI-13387AOnalespib l-lactateUNII-66226JUH2I66226JUH2IATI13387AUATI13387AOnalespib lactate (USAN)ONALESPIB LACTATE [WHO-DD]
이름 더 보기
Onalespib Lactate 1019889-35-0
RefChem:168238Propanoic Acid, 2-Hydroxy-, (2S)-, Compound with (1,3-Dihydro-5-((4-methyl-1-piperazinyl)methyl)-2H-isoindol-2-yl)(2,4-dihydroxy-5-(1-methylethyl)phenyl)methanone (1:1)1019889-35-0Onalespib (lactate)orb1699774CHEMBL3301599SCHEMBL30631701VYRWEWHOAMGLLW-WNQIDUERSA-N
데이터베이스 식별자
- CAS
1019889-35-0- PubChem CID
- 46915024
- ChEMBL
CHEMBL3301599- UNII
- 66226JUH2I
물성
구조 계산 물성
- 극성 표면적
- 125 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 651
화학 및 산업
공급사5 곳
InvivoChem中国13549236410 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
InvivoChem+1-708-310-1919 +1-13798911105 · [email protected]
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