基本情報
- CAS
156680-74-9- 標準SMILES
C[C@]12CCCCC1=CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)[C@H](F)C[C@@H]12- InChIKey
VHZXNQKVFDBFIK-NBBHSKLNSA-N- 分子式
- C19H27FO
- 平均分子量
- 290.4 g/mol
概要
Has antiproliferative effects on HIV-1 and reduces HIV-1 replication.
名称と識別子
- 優先名称
- Fluasterone
- IUPAC
- (8R,9S,10R,13S,14S,16R)-16-fluoro-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
- 英語名
- fluasterone
- 分子式
- C19H27FO
- 分子量
- 290.4154832
名称と別名
Fluasterone112859-71-916alpha-Fluoroandrost-5-en-17-oneR7M5UGD04GDTXSID90920920RefChem:599317DTXCID401349821Dehydroepiandrosterone Analog 8354(1S,2R,10R,11S,13R,15S)-13-fluoro-2,15-dimethyltetracyclo(8.7.0.0^(2,7).0^(11,15))heptadec-7-en-14-one(8R,9S,10R,13S,14S,16R)-16-fluoro-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one156680-74-9CHEMBL4441355
名称をさらに表示
16alpha-Fluoro-5-androsten-17-oneUNII-R7M5UGD04G16-fluoro-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-oneCCRIS 4216(8R,9S,10R,13S,14S,16R)-16-Fluoro-10,13-dimethyl-1,2,3,4,7,8,9,10,11,12,13,14,15,16-tetradecahydro-17H-cyclopenta[a]phenanthren-17-oneVHZXNQKVFDBFIK-NBBHSKLNSA-N8354 compoundHE2500
データベース識別子
- CAS
156680-74-9- ChEMBL
CHEMBL4441355- UNII
- R7M5UGD04G
- Nikkaji
- J245.776H
物性
構造計算による物性
- XLogP
- 5.1
- 極性表面積
- 17.1 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 2
- 回転可能結合数
- 0
- 重原子数
- 21
- 形式電荷
- 0
- 複雑度
- 510
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
化学と産業
薬理情報
Mechanism of Action
Fluasterone is a synthetically stable adrenocortical steroid fluorinated analogue of dehydroepiandrosterone (DHEA), a powerful anti-inflammatory molecule with androgenic or estrogenic side effects. It is proposed that fluasterone inhibits NF-kB activation and reduces oxidative stress, but other mechanisms may play a role. Fluasterone suppresses inflammation and is effective in preclinical models of chronic inflammatory disease including psoriasis, asthma, rheumatoid arthritis, multiple sclerosis and lupus erythematosus. Fluasterone has anti-inflammatory effects inpreclinical models of chronic inflammatory disease including psoriasis, asthma, rheumatoid arthritis, multiple sclerosis and lupus erythematosus. [Aeson Pharmaceuticals Executive Report]
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