| Identification | Back Directory | [Name]
(6aR,7R,9aR)-11-((3S,5R)-3,5-dihydroxy-2-Methylcyclohex-1-en-1-yl)-6a-Methyl-7-((R)-6-Methylheptan-2-yl)-2-phenyl-4a,5,6,6a,7,8,9,9a-octahydrocyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H,11H)-dione | [CAS]
82266-85-1 | [Synonyms]
Alfacalcidol EP impurity C
IMpurity C of Alfacalcidol
6.-[(3S,5R)-3,5-Dihydroxy-2-methylcyclohex-1-en-1-yl]-2-phenyl-2,5,10-triaza-4,19-dinor-9.-cholest-7-ene-1,3-dione
(6aR,7R,9aR)-11-((3S,5R)-3,5-dihydroxy-2-Methylcyclohex-1-en-1-yl)-6a-Methyl-7-((R)-6-Methylheptan-2-yl)-2-phenyl-4a,5,6,6a,7,8,9,9a-octahydrocyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H,11H)-dione
1H,5H-Cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione, 11-(3,5-dihydroxy-2-methyl-1-cyclohexen-1-yl)-7-(1,5-dimethylhexyl)-4a,6,6a,7,8,9,9a,11-octahydro-6a-methyl-2-phenyl-, [4aR-[4aα,6aα,7α(R*),9aβ,11α(3S*,5S*)]]- (9CI) | [Molecular Formula]
C35H49N3O4 | [MDL Number]
MFCD22124488 | [MOL File]
82266-85-1.mol | [Molecular Weight]
575.78 |
| Chemical Properties | Back Directory | [Boiling point ]
677.3±65.0 °C(Predicted) | [density ]
1.23±0.1 g/cm3(Predicted) | [storage temp. ]
Store at -20°C | [solubility ]
Soluble in DMSO | [form ]
Powder | [pka]
14.18±0.70(Predicted) | [color ]
White to off-white | [InChIKey]
PTIHYNIKYFVMFI-IBPGHGJHNA-N | [SMILES]
N12C(=O)N(C3=CC=CC=C3)C(=O)N1[C@@H](C1C[C@@H](O)C[C@H](O)C=1C)C=C1C2CC[C@]2(C)[C@@H](C(CCCC(C)C)C)CC[C@@]12[H] |&1:13,16,19,28,30,41,r| |
| Hazard Information | Back Directory | [Uses]
Impurity of Alfacalcidol. Alfacalcidol (1-hydroxycholecalciferol; Alpha D3; 1.alpha.-Hydroxyvitamin D3) is a non-selective VDR activator medication.
IC50 value:
Target: VDR activator
Alfacalcidol (1-hydroxycholecalciferol; Alpha D3; 1.alpha.-Hydroxyvitamin D3) improves mechanical bone strength and bone mass; suppresses osteoclastic bone resorption in vivo. | [storage]
Store at -20°C | [References]
[1] Shiraishi et al (2000) Alfacalcidol inhibits bone resorption and stmulates formation in an ovariectomized rat model of osteoporosis: Distinct actions from estrogen. Journal of Bone and Mineral Research. 15 770.
[2] Ringe JD, Schacht E. et al. Prevention and therapy of osteoporosis: the roles of plain vitamin D and alfacalcidol. Rheumatol Int. 2004 Jul;24(4):189-97. DOI:10.1007/s00296-004-0454-0
[3] Ivarsen P, Povlsen JV, Christensen KL.Effect of alfacalcidol on cardiac function in patients with chronic kidney disease stage 4 and secondary hyperparathyroidism: A pilot study.Scand J Urol Nephrol. 2012 Jun 25. DOI:10.3109/00365599.2012.693131
[4] Rianthavorn P, Pisutikul K, Deekajorndech T, Tepmongkol S, Suphapeetiporn K.Prevention of bone loss in children receiving long-term glucocorticoids with calcium and alfacalcidol or menatetrenone.J Pediatr Endocrinol Metab. 2012;25(3-4):307-12. DOI:10.1515/jpem-2011-0441 |
| Spectrum Detail | Back Directory | [Spectrum Detail]
(6aR,7R,9aR)-11-((3S,5R)-3,5-dihydroxy-2-Methylcyclohex-1-en-1-yl)-6a-Methyl-7-((R)-6-Methylheptan-2-yl)-2-phenyl-4a,5,6,6a,7,8,9,9a-octahydrocyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H,11H)-dione(82266-85-1)1HNMR
(6aR,7R,9aR)-11-((3S,5R)-3,5-dihydroxy-2-Methylcyclohex-1-en-1-yl)-6a-Methyl-7-((R)-6-Methylheptan-2-yl)-2-phenyl-4a,5,6,6a,7,8,9,9a-octahydrocyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H,11H)-dione(82266-85-1)13CNMR
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