Calcipotriene CAS 112828-00-9
Introduction：Basic information about Calcipotriene CAS 112828-00-9, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Calcipotriene Basic information
| Product Name: | Calcipotriene |
| Synonyms: | Calcipotrien;(1R,3S,5Z)-5-[(2E)-2-[(1R,7aR)-1-[(E,2R,5S)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylenecyclohexane-1,3-diol;(1R,3S,5Z)-5-{2-[(4E)-1-[(2R,3E,5R)-5-CYCLOPROPYL-5-HYDROXYPENT-3-EN-2-YL]-7A-METHYL-HEXAHYDRO-1H-IN;Calcipotriene/calcipotriol;CALCIPOTRIOL;(1s,3s,5z)-5-[(2e)-2-[(1r,3ar,7ar)-1-[(e,2s)-5-cyclopropyl-5-hydroxy-pent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidene-cyclohexane-1,3-diol;(1r,3s,5z)-5-[(2e)-2-[1-[(e,2r,5r)-5-cyclopropyl-5-hydroxypent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1h-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol;24-CYCLOPROPYL-(1ALPHA,3BETA,5Z,7E,22E,24S)-9,10-SECOCHOLA-5,7,10(19),22-TETRAENE-1,3,24-TRIOL |
| CAS: | 112828-00-9 |
| MF: | C27H40O3 |
| MW: | 412.6 |
| EINECS: | 686-849-3 |
| Product Categories: | API |
| Mol File: | 112828-00-9.mol |
Calcipotriene Chemical Properties
| InChIKey | LWQQLNNNIPYSNX-ONRIVJDHNA-N |
| SMILES | [C@@]12([H])CC[C@H]([C@H](C)/C=C/[C@@H](O)C3CC3)[C@@]1(C)CCC/C/2=C\C=C1\C[C@H](C[C@H](O)C\1=C)O |&1:0,4,5,9,14,24,26,r| |
| CAS DataBase Reference | 112828-00-9(CAS DataBase Reference) |
Safety Information
| Uses | Antipsoriatic. |
| Indications | Calcipotriene (calcipotriol) is a synthetic vitamin D3 derivative that is useful forthe treatment of patients with moderate plaque psoriasis. Its effects are comparablewith those of class II topical steroids, without the associated adverse effects.Its mechanism of action involves both induction of terminal differentiation ofkeratinocytes and inhibition of keratinocyte production. It should be applied tothe face with care, as this region is more susceptible to irritation, burning, anditching, as seen in approximately 10% of patients. Other adverse effects includeerythema, peeling, xerosis, dermatitis, or worsening psoriasis in 1% to 10% ofpatients. Fewer than 1% of patients experience hypercalcemia, atrophy, hyperpigmentation,or folliculitis. Allergic contact dermatitis to calcipotriene has beenreported. Most patients demonstrate improvement after 2 weeks; 70% of patientsimprove after 8 weeks, with 10% showing complete clearing. It should be avoidedin patients with documented impairment in calcium metabolism, hypercalcemia,vitamin D toxicity, or history of renal stones. Calcipotriene may be used as an adjuvant with psoralens plus ultraviolet A(PUVA) and ultraviolet B (UVB). Pretreatment with or subsequent addition of calcipotriolto PUVA reduces the cumulative doses of UVA needed to achieve >75%reduction in severity and distribution of psoriasis. |
| Definition | ChEBI: Calcipotriol is a seco-cholestane that is 26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene carrying additional hydroxy substituents at positions 1, 3 and 24. It is used (as its hydrate) in combination with betamethasone dipropionate, a corticosteroid, for the topical treatment of plaque psoriasis in adult patients. It has a role as a drug allergen and an antipsoriatic. It is a member of cyclopropanes, a secondary alcohol, a triol, a hydroxy seco-steroid and a seco-cholestane. |
| Brand name | Dovonex (Leo). |
Calcipotriene Preparation Products And Raw materials
