ChemSpider 2D Image | Calcipotriene | C27H42O4

Calcipotriene

  • Molecular FormulaC27H42O4
  • Average mass430.620 Da
  • Monoisotopic mass430.308319 Da
  • ChemSpider ID21230323

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 7 of 7 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,2E,4S)-4-Cyclopropyl-4-hydroxy-1-methylbut-2-en-1-yl]-7a-methyloctahydro-4H-inden-4-yliden}ethyliden]-4-methylidencyclohexan-1,3-diolhydrat
(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-methylbut-2-en-1-yl]-7a-methyloctahydro-4H-inden-4-ylidene}ethylidene]-4-methylidenecyclohexane-1,3-diol hydrate
(1R,3S,5Z)-5-[(2E)-2-{(1R,3aS,7aR)-1-[(1R,2E,4S)-4-cyclopropyl-4-hydroxy-1-méthylbut-2-én-1-yl]-7a-méthyloctahydro-4H-indén-4-ylidène}éthylidène]-4-méthylidènecyclohexane-1,3-diol hydrate
(1S,3R,5Z,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraen-1,3,24-triolhydrat (1:1) [German] [ACD/IUPAC Name]
(1S,3R,5Z,7E,22E,24S)-26,27-cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol hydrate
(1S,3R,5Z,7E,22E,24S)-26,27-Cyclo-9,10-secocholesta-5,7,10,22-tetraene-1,3,24-triol hydrate (1:1) [ACD/IUPAC Name]
(1S,3R,5Z,7E,22E,24S)-26,27-Cyclo-9,10-sécocholesta-5,7,10,22-tétraène-1,3,24-triol, hydrate (1:1) [French] [ACD/IUPAC Name]
(5Z,7E,22E,24S)-24-Cyclopropyl-9,10-secochola-5,7,10(19),22-tetraene-1α,3β,24-triol
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-, (1R,3S,5Z)-, hydrate (1:1) [ACD/Index Name]
147657-22-5 [RN]
More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

S7499TYY6G [DBID]
UNII:S7499TYY6G [DBID]
UNII-S7499TYY6G [DBID]
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Chemical Class:

      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. ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:90861, CHEBI:90861

    • Bio Activity:

      Calcipotriol, a 1,25-Dihydroxyvitamin D3 analogue, is used as topical treatment for psoriasis.; IC50 value: ; Target: Vitamin D3 analogue; in vitro: Calcipotriol increased hCAP18 mRNA expression in IL-17/IL-22-stimulated keratinocytes. MedChem Express HY-10001A
      Calcipotriol, a 1,25-Dihydroxyvitamin D3 analogue, is used as topical treatment for psoriasis.;IC50 value: ;Target: Vitamin D3 analogue;In vitro: Calcipotriol increased hCAP18 mRNA expression in IL-17/IL-22-stimulated keratinocytes. However, LL37 peptide in the culture supernatants was reduced by calcipotriol [1]. Calcipotriol and FTY720 augment IL-2-activated NK cell lysis of K562 and RAJI tumor cell lines as well as immature (i) and mature (m) DCs, with variable efficacies.vitamin D3, calcipotriol and FTY720 enhance NK17/NK1 cell lysis of K562 cells, suggesting that a possible mechanism of action for these drugs is via activating these newly described cells [2]. MC 903 (calcipotriol) is a novel vitamin D3 analogue which is at least 100 times less potent than 1,25-(OH)-2-D3 in its effects on calcium homeostasis [3].;In vivo: A total of 160 SKH-1 mice were randomized to one placebo group and four chemoprevention groups (diclofenac plus difluoromethylornithine; diclofenac plus calc MedChem Express HY-10001A
      VD/VDR MedChem Express HY-10001A
      Vitamin D Related MedChem Express HY-10001A
      Vitamin D Related; MedChem Express HY-10001A

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

No predicted properties have been calculated for this compound.

Click to predict properties on the Chemicalize site


Advertisement