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(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

Basic information Safety Supplier Related

(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 Basic information

Product 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
Synonyms:
  • (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
  • 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
  • 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)
  • Alfacalcidol beta c
  • c .?6ξ-[(3S,5R)-3,5-d i h yd roxy-2-me th ylc yc loh e x-1-e n-1-yl]-2-ph e nyl-2,5,10-tri a za -17β-[(2R)-6-me th ylh e pta n-2-yl]-4-nor-9ξ-e str-7-e ne -1,3-d i one ,
  • Alpha calciferol impurity C(EP)
CAS:
82266-85-1
MF:
C35H49N3O4
MW:
575.78
Mol File:
82266-85-1.mol
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(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 Chemical Properties

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|
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(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 Usage And Synthesis

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.

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

(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)-dioneSupplier

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(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)Related Product Information