Synonym: (5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1alpha,3beta,24-triol; Calcipotriene
CAS Number: 112965-21-6 (anhydrous)
Empirical Formula (Hill Notation): C27H40O3 · xH2O
Molecular Weight: 412.60 (anhydrous basis)
MDL Number: MFCD10567086
Linear Formula: C27H40O3 · xH2O
Product Type: Chemical
| assay |
≥98% (HPLC) |
| form |
powder |
| InChI |
1S/C27H40O3.H2O/c1-17(6-13-25(29)20-8-9-20)23-11-12-24-19(5-4-14-27(23,24)3)7-10-21-15-22(28)16-26(30)18(21)2;/h6-7,10,13,17,20,22-26,28-30H,2,4-5,8-9,11-12,14-16H2,1,3H3;1H2/b13-6+,19-7+,21-10-;/t17-,22-,23-,24+,25-,26+,27-;/m1./s1 |
| InChI key |
XBKHACNRWFKJNC-MANNPBRJSA-N |
| Quality Level |
100  |
| SMILES string |
O.C[C@H](C=C[C@@H](O)C1CC1)C2CCC3C(CCC[C@]23C)=CC=C4C[C@@H](O)C[C@H](O)C4=C |
| solubility |
DMSO: 15 mg/mL, clear |
| storage temp. |
room temp |
| Biochem/physiol Actions: |
Calcipotriol is a synthetic derivative of calcitriol, or Vitamin D. |
| Biochem/physiol Actions: |
Calcipotriol, a synthetic derivative of calcitriol or Vitamin D, is used in the treatment of psoriasis and marketed under the trade name Dovonex. It has comparable affinity with calcitriol (Vit. D) for the Vitamin D receptor (VDR), while being less than 1% as active as the calcitriol in regulating calcium metabolism. VDR belongs to the steroid/thyroid receptor superfamily, and is found on the cells of many different tissues including the thyroid, bone, kindney, and T cells of the immune system. Binding of calcipotriol to the VDR modulates the T cells gene transcription of cell differentiation and proliferation-related genes. |
| Packaging: |
10, 50 mg in glass bottle |
| RIDADR |
NONH for all modes of transport |
| WGK Germany |
WGK 3 |
| Flash Point(F) |
Not applicable |
| Flash Point(C) |
Not applicable |
| Purity |
≥98% (HPLC) |
| Storage Temp. |
room temp |
| UNSPSC |
12352200 |
