Impurity C of Alfacalcidol - ≥99% , CAS No.82266-85-1

CAS: 82266-85-1 Cat. No.: I651144 Molecular Weight: 575.78 PubChem CID: 71576655

GRADE & PURITY ≥99%

Synonyms

(6aR,7R,9aR)-11-[(3S,5R)-3,5-Dihydroxy-2-methylcyclohex-1-en-1-yl]-6a-methyl-7-(6-methylheptan-2-yl)-2-phenyl-5,6,6a,7,8,9,9a,11-octahydro-1H,4aH-cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione | HY-13294 | (10R,13R,14R)-7-[(3S,5R)-3,5-dihydrox

Storage

Store at 2-8°C,Protected from light,Argon charged

Shipped In

Wet ice

Overview

Impurity of Alfacalcidol. Alfacalcidol (1-hydroxycholecalciferol; Alpha D3; 1.alpha.-Hydroxyvitamin D3) is a non-selective VDR activator medication.IC50 value:Target: VDR activatorAlfacalcidol (1-hydroxycholecalciferol; Alpha D3; 1.alpha.-Hydroxyvitamin D3) improves mechanical bone strength and bone mass; suppresses osteoclastic bone resorption in vivo.

Form:Solid

Specifications

Synonyms

(6aR, 7R, 9aR)-11-[(3S, 5R)-3, 5-Dihydroxy-2-methylcyclohex-1-en-1-yl]-6a-methyl-7-(6-methylheptan-2-yl)-2-phenyl-5, 6, 6a, 7, 8, 9, 9a, 11-octahydro-1H, 4aH-cyclopenta[f][1, 2, 4]triazolo[1, 2-a]cinnoline-1, 3(2H)-dione | HY-13294 | (10R, 13R, 14R)-7-[(3S, 5R)-3, 5-dihydrox

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Impurity of Alfacalcidol. Alfacalcidol (1-hydroxycholecalciferol; Alpha D3; 1.alpha.-Hydroxyvitamin D3) is a non-selective VDR activator medication. \nIC50 value: \nTarget: VDR activator\nAlfacalcidol (1-hydroxycholecalciferol; Alpha D3; 1.alpha.-Hydroxyv

Storage

Store at 2-8°C, Protected from light, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ACTIVATOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CC1=C(CC(CC1O)O)C2C=C3C4CCC(C4(CCC3N5N2C(=O)N(C5=O)C6=CC=CC=C6)C)C(C)CCCC(C)C
• IUPAC Name: (10R,13R,14R)-7-[(3S,5R)-3,5-dihydroxy-2-methylcyclohexen-1-yl]-14-methyl-13-[(2R)-6-methylheptan-2-yl]-4-phenyl-2,4,6-triazatetracyclo[7.7.0.02,6.010,14]hexadec-8-ene-3,5-dione
• InChIKey: PTIHYNIKYFVMFI-UURGVQEHSA-N
• INCHI: 1S/C35H49N3O4/c1-21(2)10-9-11-22(3)28-14-15-29-27-20-31(26-18-25(39)19-32(40)23(26)4)38-34(42)36(24-12-7-6-8-13-24)33(41)37(38)30(27)16-17-35(28,29)5/h6-8,12-13,20-22,25,28-32,39-40H,9-11,14-19H2,1-5H3/t22-,25-,28-,29+,30?,31?,32+,35-/m1/s1
• Isomeric SMILES: CC1=C(C[C@H](C[C@@H]1O)O)C2C=C3[C@@H]4CC[C@@H]([C@]4(CCC3N5N2C(=O)N(C5=O)C6=CC=CC=C6)C)[C@H](C)CCCC(C)C
• Alternate CAS: 82266-85-1
• PubChem CID: 71576655
• Molecular Weight: 575.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Sesquiterpenoids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Sesquiterpenoids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sesquiterpenoids
• Alternative Parents: Phenyl-1,2,4-triazoles Urazoles Benzene and substituted derivatives Heteroaromatic compounds Secondary alcohols Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Sesquiterpenoid - Phenyl-1,2,4-triazole - Phenyltriazole - Urazole - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Triazole - 1,2,4-triazole - Secondary alcohol - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Alcohol - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: DMSO : 6.67 mg/mL (11.58 mM; ultrasonic and warming and heat to 80°C)