| Identification | Back Directory | [Name]
CALCIPOTRIOL MONOHYDRATE | [CAS]
147657-22-5 | [Synonyms]
CALCIPOTRIOL MONOHYDRATE
Calcipotriol monohydrate CRS
Calcipotriol (Calcipotriene) Monohydrate
(5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1α,3β,24-triol
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-Cyclohexanediol hydrate
(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-1,3-Cyclohexanediol monohydrate
1,3-Cyclohexanediol,5-[(2E)-2-[(1R,3aS,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methyl-2-buten-1-yl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylene-,hydrate (1:1), (1R,3S,5Z)- | [EINECS(EC#)]
689-035-6 | [Molecular Formula]
C27H40O3.H2O | [MDL Number]
MFCD10567086 | [MOL File]
147657-22-5.mol | [Molecular Weight]
430.625 |
| Chemical Properties | Back Directory | [Appearance]
White or almost white, crystalline powder. | [storage temp. ]
4°C, protect from light, stored under nitrogen,unstable in solution, ready to use. | [solubility ]
Practically insoluble in water, freely soluble in ethanol (96 per cent), slightly soluble in methylene chloride. | [form ]
Powder | [color ]
White to off-white | [Stability:]
Hygroscopic, Light sensitive | [InChIKey]
XBKHACNRWFKJNC-IZXATKCONA-N | [SMILES]
C[C@]12CCC/C(=C\C=C3\C[C@@H](O)C[C@H](O)C\3=C)/[C@]1([H])CC[C@]2([H])[C@H](C)/C=C/[C@H](C1CC1)O.O |&1:1,10,13,17,21,23,27,r| | [Uses]
Vitamin D analogue. |
| Hazard Information | Back Directory | [Chemical Properties]
White or almost white, crystalline powder. | [Definition]
ChEBI: A hydrate that is the monohydrate form of calcipotriol. It is used in combination with betamethasone dipropionate, a corticosteroid, for the topical treatment of plaque psoriasis in adult patients. | [Description]
Calcipotriol (hydrate) is a low-calcemic vitamin D receptor (VDR) agonist. Calcipotriol (hydrate) is about 200 times less potent in its effects on calcium metabolism than vitamin D (1,25[OH]D3).1 Binding of calcipotriol (hydrate) to the VDR increases AP-1, a transcription factor important for keratinocyte differentiation, and reduces expression of JunB protein, a transcriptional activator in the inflammatory response.2 Calcipotriol (hydrate) also induces expression of thymic stromal lymphopoietin, which triggers T-cell differentiation in keratinocytes.3 |
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