CAS Number63283-36-3
SynonymsMFCD00867077; EINECS 242-990-9; Calcifediol hydrate; (3S,5Z,7E)-9,10-Secocholesta-5,7,10-triene-3,25-diol hydrate (1:1); Calcifediol (monohydrate); Calcifediol
Molecular FormulaC27H46O3
Molecular Weight418.65
Purity≥99.0 (HPLC)%
Boiling Point529.2ºC at 760 mmHg
Appearancepowder or crystals
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| Chemical & Physical Properties | |
|---|---|
| CAS Number | 63283-36-3 |
| Catalog No. | 2A-9045886 |
| Chinese Name | 骨化二醇 |
| Synonyms | MFCD00867077; EINECS 242-990-9; Calcifediol hydrate; (3S,5Z,7E)-9,10-Secocholesta-5,7,10-triene-3,25-diol hydrate (1:1); Calcifediol (monohydrate); Calcifediol |
| Molecular Formula | C27H46O3 |
| Molecular Weight | 418.65 |
| Purity | ≥99.0 (HPLC) |
| Boiling Point | 529.2ºC at 760 mmHg |
| Appearance | powder or crystals |
| Storage Condition | −20°C |
| Application | Calcifediol monohydrate is the major circulating metabolite of vitamin D3 and is a competitive inhibitor with a Ki value of 3.9 μM. |
| PubChem ID | 57647690 |
| MDL Number | MFCD00867077 |
| SMILES | [H][C@@]1(CC[C@@]2([H])C(\CCC[C@]12C)=C\C=C3\C[C@@H](O)CCC3=C)[C@H](C)CCCC(C)(C)O |
| InChI | 1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1 |
| InChI Key | JWUBBDSIWDLEOM-DTOXIADCSA-N |
| Beilstein/REAXYS | 4270041 |
| NACRES Code | NA.79 |
| eCl@ss | 34058003 |
| UNSPSC | 12352205 |
| Bioactivity | Calcifediol (monohydrate) is a major circulating metabolite of vitamin D3, acting as a competitive inhibitor with an apparent Ki of 3.9 μM, suppresses PTH secretion and mRNA (ED50=2 nM). Related Catalog Signaling Pathways >> Vitamin D Related >> VD/VDR Research Areas >> Metabolic Disease In Vitro Calcifediol in either liposomes or ethanolic solution has no effect on the release of the proinflammatory cytokine KC from Pseudomonas-infected murine epithelial cells. Treatment of infected, human bronchial 16-HBE cells with Calcifediol liposomes results in a significant reduction in bacterial survival[1]. References [1]. Castoldi A, et al. Calcifediol-loaded liposomes for local treatment of pulmonary bacterial infections. Eur J Pharm Biopharm. 2016 Nov 22. Chemical & Physical Properties Boiling Point 529.2ºC at 760 mmHg Molecular Formula C27H46O3 Molecular Weight 418.65 Flash Point 221.4ºC PSA 40.46000 LogP 6.73390 Vapour Pressure 2.07E-13mmHg at 25°C InChIKey WRLFSJXJGJBFJQ-NVQSLZSUSA-N SMILES C=C1CCC(O)CC1=CC=C1CCCC2(C)C1CCC2C(C)CCCC(C)(C)O.O Storage condition −20°C |
| Use of | Calcifediol (monohydrate) is a major circulating metabolite of vitamin D3, acting as a competitive inhibitor with an apparent Ki of 3.9 μM, suppresses PTH secretion and mRNA (ED50=2 nM). Properties Articles55 Name Vitamin D3 25-hydroxy monohydrate Synonym More Synonyms Calcifediol Biological Activity Description Calcifediol (monohydrate) is a major circulating metabolite of vitamin D3, acting as a competitive inhibitor with an apparent Ki of 3.9 μM, suppresses PTH secretion and mRNA (ED50=2 nM). Related Catalog Signaling Pathways >> Vitamin D Related >> VD/VDR Research Areas >> Metabolic Disease In Vitro Calcifediol in either liposomes or ethanolic solution has no effect on the release of the proinflammatory cytokine KC from Pseudomonas-infected murine epithelial cells. Treatment of infected, human bronchial 16-HBE cells with Calcifediol liposomes results in a significant reduction in bacterial survival[1]. References [1]. Castoldi A, et al. Calcifediol-loaded liposomes for local treatment of pulmonary bacterial infections. Eur J Pharm Biopharm. 2016 Nov 22. Chemical & Physical Properties Molecular Formula C27H46O3 PSA 40.46000 LogP 6.73390 InChIKey WRLFSJXJGJBFJQ-NVQSLZSUSA-N |
| Transport Info | Product name: Calcidiol monohydrate |
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