Becocalcidiol
Grundinformationen
- CAS
524067-21-8- Standard-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- Summenformel
- C23H36O2
- Durchschnittliche Molmasse
- 344,5 g/mol
- Monoisotopische Masse
- 344,27153039
Überblick
Becocalcidiol is an organic molecular entity.
Namen und Bezeichner
- Bevorzugter Name
- 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
- Englischer Name
- Becocalcidiol
- Summenformel
- C23H36O2
- Molmasse
- 344.53
Namen und Synonyme
Becocalcidiol2MBISP524067-21-8Becocalcidiol [INN]Becocalcidiol [USAN:INN]N75R59YD0FQRX 101QRX-101DP-006BECOCALCIDIOL [USAN]DTXSID50415362DP006
Weitere Namen anzeigen
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
Datenbank-Bezeichner
- CAS
524067-21-8- PubChem CID
- 5289547
- DTXSID
DTXSID50415362
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,7
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 3
- Schwere Atome
- 25
- Formalladung
- 0
- Komplexität
- 557
Experimentelle und physikochemische Eigenschaften
DrugsPharmaceuticals -> Listed in ZINC15
LipidsLipids -> Sterol Lipids [ST] -> Secosteroids [ST03] -> Vitamin D3 and derivatives [ST0302]
Chemie und Industrie
Pharmakologische Informationen
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.
Anwendungen
VerwendenTreatment of psoriasis (vitamin D analog).
Anbieter2 Anbieter
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]
Zugehörige Reaktionen
2
Notizen zur Verbindung
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