基本情報
- CAS
524067-21-8- 標準SMILES
C=C1[C@H](O)CC(=C/C=C2\CCC[C@]3(C)[C@@H]([C@@H](C)CC)CC[C@@H]23)C[C@H]1O- InChIKey
QSLUXQQUPXBIHH-YHSKWIAJSA-N- 分子式
- C23H36O2
- 平均分子量
- 344.5 g/mol
- 単同位体質量
- 344.27153039
概要
Becocalcidiol is an organic molecular entity.
名称と識別子
- 優先名称
- Becocalcidiol
- IUPAC
- trans-(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-butan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diol
- 現地名
- ベコカルシジオール
- 英語名
- Becocalcidiol
- 分子式
- C23H36O2
- 分子量
- 344.53
名称と別名
Becocalcidiol2MBISP524067-21-8Becocalcidiol [INN]Becocalcidiol [USAN:INN]N75R59YD0FQRX 101QRX-101DP-006BECOCALCIDIOL [USAN]DTXSID50415362DP006
名称をさらに表示
ベコカルシジオールCOL121COL-1211,3-Cyclohexanediol, 2-methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-7a-methyl-1-[(1S)-1-methylpropyl]-4H-inden-4-ylidene]ethylidene]-, (1R,3R)-
1,3-CYCLOHEXANEDIOL, 2-METHYLENE-5-((2E)-((1R,3AS,7AR)-OCTAHYDRO-7A-METHYL-1-((1S)-1-METHYLPROPYL)-4H-INDEN-4-YLIDENE)ETHYLIDENE)-, (1R,3R)-becocalcidiolum(1R,3R)-2-METHYLENE-5-((2E)-2-((1R,3AS,7AR)-7A-METHYL-1-((1S)-1-METHYLPROPYL)OCTAHYDRO-4H-INDEN-4-YLIDENE)ETHYLIDENE)CYCLOHEXANE-1,3-DIOL(1R,3R)-2-Methylene-5-[(2E)-2-[(1R,3aS,7aR)-7a-methyl-1-[(1S)-1-methylpropyl]octahydro-4H-inden-4-ylidene]ethylidene]cyclohexane-1,3-diolRefChem:561164DTXCID80366212(1R,3R)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2S)-butan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-methylidenecyclohexane-1,3-diolQRX101
データベース識別子
- CAS
524067-21-8- PubChem CID
- 5289547
- DTXSID
物性
構造計算による物性
- XLogP
- 4.7
- 極性表面積
- 40.5 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 2
- 回転可能結合数
- 3
- 重原子数
- 25
- 形式電荷
- 0
- 複雑度
- 557
実験および物理化学的性質
DrugsPharmaceuticals -> Listed in ZINC15
LipidsLipids -> Sterol Lipids [ST] -> Secosteroids [ST03] -> Vitamin D3 and derivatives [ST0302]
化学と産業
薬理情報
Pharmacodynamics
Becocalcidiol (formerly QRX-101) is a novel vitamin D analogue for the treatment of mild to moderate psoriasis. In clinical and preclinical studies, becocalcidiol has been well tolerated with a low incidence of skin irritation. Based on the completed Phase IIb study, becocalcidiol was statistically superior to placebo in reducing plaque and did not result in excessive blood calcium levels, a side effect of existing calcitriol topical treatments for psoriasis.
Mechanism of ActionThe mechanism of action of becocalcidiol in the treatment of psoriasis is accounted for by an antiproliferative activity for keratinocytes and the stimulation of epidermal cell differentiation.
応用分野
使用Treatment of psoriasis (vitamin D analog).
サプライヤー2 社
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
関連反応
2 件
化合物ノート
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