Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C27H44O3 |
Molecular Weight | 416.6365 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 6 / 6 |
E/Z Centers | 2 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@@]1(CC[C@@]2([H])\C(CCC[C@]12C)=C\C=C3\C[C@@H](O)C[C@@H](O)C3=C)[C@H](C)CCCC(C)(C)O
InChI
InChIKey=GMRQFYUYWCNGIN-PEJFXWBPSA-N
InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)23-12-13-24-20(9-7-15-27(23,24)5)10-11-21-16-22(28)17-25(29)19(21)2/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b20-10+,21-11-/t18-,22-,23-,24+,25-,27-/m1/s1
DescriptionSources: https://www.ncbi.nlm.nih.gov/pubmed/9437792
Sources: https://www.ncbi.nlm.nih.gov/pubmed/9437792
1β-CALCITRIOL is an Impurity B of Calcitriol. Calcitriol(1,25-Dihydroxyvitamin D3; Rocaltrol ) is the hormonally active form of vitamin D, Calcitriol is the active metabolite of vitamin D3 that activates the vitamin D receptor (VDR). 1-epicalcitriol is a potent antagonist of 1,25(OH)2D3-induced intestinal calcium
transport (transcaltachia).
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL2259 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9437792 |
9.0 nM [IC50] | ||
Target ID: CHEMBL1977 Sources: https://www.ncbi.nlm.nih.gov/pubmed/9437792 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Sample Use Guides
In Vitro Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/9437792
The action of 1-epicalcitriol on the murine fibroblastic cell line C3H10T1⁄2 was examined over a concentration range of 10(-5)–10(-13) M. 1-epicalcitriol was the best proliferation-inhibitor of the A-ring derivatives of 1,25(OH)2D3 with 30% inhibition at 10(-10) M. 1-epicalcitriol was slightly more active
than NS3 and 25(OH)D3 with nearly three times higher
CAT-activity at 10(-8) M.
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66791-71-7
Created by
admin on Sat Dec 16 01:39:57 GMT 2023 , Edited by admin on Sat Dec 16 01:39:57 GMT 2023
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5283741
Created by
admin on Sat Dec 16 01:39:57 GMT 2023 , Edited by admin on Sat Dec 16 01:39:57 GMT 2023
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IR1PLU81NA
Created by
admin on Sat Dec 16 01:39:57 GMT 2023 , Edited by admin on Sat Dec 16 01:39:57 GMT 2023
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SUBSTANCE RECORD