基本情報
- CAS
1019889-35-0- 標準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- 分子式
- C27H37N3O6
- 平均分子量
- 499.6 g/mol
概要
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.
名称と識別子
- 優先名称
- 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
- 英語名
- Givinostat Hydrochloride
- 分子式
- C27H37N3O6
- 分子量
- 499.61
名称と別名
Onalespib lactateAT-13387 lactateOnalespib lactate [USAN]ATI-13387AUATI-13387AOnalespib l-lactateUNII-66226JUH2I66226JUH2IATI13387AUATI13387AOnalespib lactate (USAN)ONALESPIB LACTATE [WHO-DD]
名称をさらに表示
オナレスピブ乳酸塩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
データベース識別子
- CAS
1019889-35-0- PubChem CID
- 46915024
- ChEMBL
CHEMBL3301599- UNII
- 66226JUH2I
物性
構造計算による物性
- 極性表面積
- 125 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 8
- 回転可能結合数
- 5
- 重原子数
- 36
- 形式電荷
- 0
- 複雑度
- 651
化学と産業
サプライヤー5 社
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]
関連反応
2 件
化合物ノート
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