기본 정보
- CAS
524067-21-8- 표준 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- 분자식
- C23H36O2
- 평균 분자량
- 344.5 g/mol
- 단동위원소 질량
- 344.27153039
개요
Becocalcidiol is an organic molecular entity.
이름 및 식별자
- 우선 이름
- 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
- 현지명
- 베코칼시디올
- 영어명
- Becocalcidiol
- 분자식
- C23H36O2
- 분자량
- 344.53
이름 및 동의어
Becocalcidiol2MBISP524067-21-8Becocalcidiol [INN]Becocalcidiol [USAN:INN]N75R59YD0FQRX 101QRX-101DP-006BECOCALCIDIOL [USAN]DTXSID50415362DP006
이름 더 보기
베코칼시디올COL121COL-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
데이터베이스 식별자
- CAS
524067-21-8- PubChem CID
- 5289547
- DTXSID
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 40.5 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 557
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
LipidsLipids -> Sterol Lipids [ST] -> Secosteroids [ST03] -> Vitamin D3 and derivatives [ST0302]
화학 및 산업
약리 정보
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.
응용 분야
용도Treatment of psoriasis (vitamin D analog).
공급사2 곳
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]
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