86307-44-0

Basic information

• Product Name: 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)-4a,6,6a,7,8,9,9a,11-octa hydro-7-(5-hydroxy-1,5-dimethylhexyl)-6a-methyl-2-phenyl-, [4aR-[4aa,6aa,7a(R*),9ab,11a(3S*,5R*)]]-
• Synonyms: pre-Calcitriol PTAD Adduct;[4aR-[4aα,6aα,7α(R*),9aβ,11α(3S*,5R*)]]-11-(3,5-Dihydroxy-2-Methyl-1-cyclohexen-1-yl)-4a,6,6a,7,8,9,9a,11-octahydro-7-(5-hydroxy-1,5-diMethylhexyl)-6a-Methyl-2-phenyl-1H,5H-cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-di;(6aR,7R,9aR)-11-((3S,5R)-3,5-dihydroxy-2-Methylcyclohex-1-en-1-yl)-7-((R)-6-hydroxy-6-Methylheptan-2-yl)-6a-Methyl-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)-4a,6,6a,7,8,9,9a,11-octahydro-7-(5-hydroxy-1,5-diMethylhexyl)-6a-Methyl-2-phenyl-, [4aR-[4aα,6aα,7α(R*),9aβ,11α(3S*,5R;IMpurity C of Calcitriol
• CAS NO: 86307-44-0
• Molecular Formula: C35H49N3O5
• Molecular Weight: 591.791
• Mol File: 86307-44-0.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 707.5±70.0 °C(Predicted)
• Density: 1.27±0.1 g/cm3(Predicted)
• CAS DataBase Reference: 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)-4a,6,6a,7,8,9,9a,11-octa hydro-7-(5-hydroxy-1,5-dimethylhexyl)-6a-methyl-2-phenyl-, [4aR-[4aa,6aa,7a(R*),9ab,11a(3S*,5R*)]]-(CAS DataBase Reference)
• NIST Chemistry Reference: 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)-4a,6,6a,7,8,9,9a,11-octa hydro-7-(5-hydroxy-1,5-dimethylhexyl)-6a-methyl-2-phenyl-, [4aR-[4aa,6aa,7a(R*),9ab,11a(3S*,5R*)]]-(86307-44-0)
• EPA Substance Registry System: 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)-4a,6,6a,7,8,9,9a,11-octa hydro-7-(5-hydroxy-1,5-dimethylhexyl)-6a-methyl-2-phenyl-, [4aR-[4aa,6aa,7a(R*),9ab,11a(3S*,5R*)]]-(86307-44-0)

Safety Data

• Hazardous Substances Data: 86307-44-0(Hazardous Substances Data)

Usage

Description

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)-4a,6,6a,7,8,9,9a,11-octahydro-7-(5-hydroxy-1,5-dimethylhexyl)-6a-methyl-2-phenyl-, [4aR-[4aa,6aa,7a(R),9ab,11a(3S,5R)]]is a complex organic compound with a unique molecular structure. It is characterized by its cyclopenta[f][1,2,4]triazolo[1,2-a]cinnoline-1,3(2H)-dione core, which is fused with a cyclohexenyl ring and a phenyl ring. The molecule also contains multiple hydroxy and methyl groups, which may contribute to its chemical properties and potential applications.

Uses

Used in Pharmaceutical Industry:
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)-4a,6,6a,7,8,9,9a,11-octahydro-7-(5-hydroxy-1,5-dimethylhexyl)-6a-methyl-2-phenyl-, [4aR-[4aa,6aa,7a(R),9ab,11a(3S,5R)]]is used as a precursor in the synthesis of 1α-hydroxyvitamin D and 1α-hydroxyprevitamin D compounds. These compounds have potential therapeutic applications in the treatment of various diseases, including rickets, osteoporosis, and certain cancers.
Used in Research and Development:
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)-4a,6,6a,7,8,9,9a,11-octahydro-7-(5-hydroxy-1,5-dimethylhexyl)-6a-methyl-2-phenyl-, [4aR-[4aa,6aa,7a(R),9ab,11a(3S,5R)]]may also be used as a research compound in the development of new drugs and pharmaceuticals. Its unique structure and functional groups can be further explored for potential applications in medicinal chemistry and drug discovery.

Upstream product

• 86323-06-0 (3bR,5aR,6R,8aR,10S)-10-[(R)-5-(tert-Butyl-dimethyl-silanyloxy)-2-methyl-3-oxo-cyclohex-1-enyl]-6-((R)-5-hydroxy-1,5-dimethyl-hexyl)-5a-methyl-2-phenyl-4,5,5a,6,7,8,8a,10-octahydro-3bH-2,3a,10a-triaza-dicyclopenta[a,f]naphthalene-1,3-dione 
• 86307-42-8 (3bR,5aR,6R,8aR,10S)-10-[(S)-5-(tert-Butyl-dimethyl-silanyloxy)-2-methyl-cyclohex-1-enyl]-6-((R)-5-hydroxy-1,5-dimethyl-hexyl)-5a-methyl-2-phenyl-4,5,5a,6,7,8,8a,10-octahydro-3bH-2,3a,10a-triaza-dicyclopenta[a,f]naphthalene-1,3-dione 
• 86307-41-7 (3bR,5aR,6R,8aR,10S)-6-((R)-5-Hydroxy-1,5-dimethyl-hexyl)-10-((S)-5-hydroxy-2-methyl-cyclohex-1-enyl)-5a-methyl-2-phenyl-4,5,5a,6,7,8,8a,10-octahydro-3bH-2,3a,10a-triaza-dicyclopenta[a,f]naphthalene-1,3-dione 
• 23357-18-8 25-hydroxy previtamin D₃ 
• 15988-11-1 4-Phenylurazole 
• 86307-43-9 (3bR,5aR,6R,8aR,10S)-6-((R)-5-Hydroxy-1,5-dimethyl-hexyl)-10-((R)-5-hydroxy-2-methyl-3-oxo-cyclohex-1-enyl)-5a-methyl-2-phenyl-4,5,5a,6,7,8,8a,10-octahydro-3bH-2,3a,10a-triaza-dicyclopenta[a,f]naphthalene-1,3-dione 

Downstream Products

• 32222-06-3 calcitriol 
• 57102-09-7 [2H]-Pre-1,25-D₃ 

Relevant articles and documents

AN EFFICIENT SYNTHESIS OF 1α,25-DIHYDROXY VITAMIN D3

An efficient synthesis of the title compound is reported based on C-1 functionalization of the triazoline Diels-Alder adduct of 25-OH previtamin D3 (2c).