159014-70-7

Basic information

• Product Name: Hoet-PO
• Synonyms: Hoet-PO;2-(2-(3-hydroxy-12-(2-methyl-1-oxobutoxy)-5-androstan-17-yl)ethyl)tetrahydro-4-hydroxy-2H-pyran-6-one
• CAS NO: 159014-70-7
• Molecular Formula: C31H50O6
• Molecular Weight: 518.7251
• Mol File: 159014-70-7.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 646.6°Cat760mmHg
• Flash Point: 201.1°C
• Appearance: /
• Density: 1.14g/cm³
• Vapor Pressure: 1.9E-19mmHg at 25°C
• Refractive Index: 1.549
• PKA: 13.50±0.40(Predicted)
• CAS DataBase Reference: Hoet-PO(CAS DataBase Reference)
• NIST Chemistry Reference: Hoet-PO(159014-70-7)
• EPA Substance Registry System: Hoet-PO(159014-70-7)

Safety Data

• Hazardous Substances Data: 159014-70-7(Hazardous Substances Data)

Usage

InChI:InChI=1/C31H50O6/c1-5-19(2)29(36)37-28-18-27-25(10-7-21-16-23(34)12-14-30(21,27)3)26-11-8-20(31(26,28)4)6-9-22(33)17-24(35)13-15-32/h12,14-15,19-28,33-35H,5-11,13,16-18H2,1-4H3/t19?,20-,21+,22+,23+,24-,25-,26-,27-,28-,30-,31+/m0/s1

Upstream product

• 159014-72-9 tert-butyl (E)-7-<3α-acetoxy-12α-(2-(S)-methyl-1-oxobutoxy)-5β-androstan-17β-yl>-(3S,5R)-(isopropylidenedioxy)-6-heptenoate 
• 159014-73-0 tert-butyl (E)-7-<3α-acetoxy-12α-(2-(S)-methyl-1-oxobutoxy)-5β-androstan-17β-yl>-(3S,5S)-dihydroxyheptanoate 
• 159014-71-8 tert-butyl (E)-7-(3α,12α-dihydroxy-5β-androstan-17β-yl)-(3S,5R)-(isopropylidenedioxy)-6-heptenoate 
• 159014-64-9 tert-butyl (E)-7-(3α,12α-dihydroxy-5β-androstan-17β-yl)-(3S,5R)-dihydroxy-6-heptenoate 
• 15991-93-2 3α,12α-bis(acetoxy)-5Hβ-pregnan-20-one 
• 159014-67-2 tert-butyl (E)-7-<3α-acetoxy-12α-(2-(S)-methyl-1-oxobutoxy)5β-androstan-17β-yl>-(3R,5S)-(isopropylidenedioxy)-6-heptenoate 
• 159014-68-3 (E)-(3R,5S)-7-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-Acetoxy-10,13-dimethyl-12-((S)-2-methyl-butyryloxy)-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-3,5-dihydroxy-hept-6-enoic acid tert-butyl ester 
• 159014-69-4 tert-butyl (E)-7-<3α-acetoxy-12α-(2-(S)-methyl-1-oxobutoxy)5β-androstan-17β-yl>-(3R,5R)-dihydroxyheptanoate 
• 159014-66-1 {(4R,6S)-6-[(E)-2-((3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-Acetoxy-12-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-vinyl]-2,2-dimethyl-[1,3]dioxan-4-yl}-acetic acid tert-butyl ester 
• 159014-65-0 tert-butyl (E)-7-(3α,12α-dihydroxy-5β-androstan-17β-yl)-(3R,5S)-(isopropylidenedioxy)-6-heptenoate 
• 159014-63-8 tert-butyl (E)-7-(3α,12α-dihydroxy-5β-androstan-17β-yl)-(3R,5S)-dihydroxy-6-heptenoate 
• 1062187-38-5 (3R,5R)-3,5-Dihydroxy-7-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-12-((S)-2-methyl-butyryloxy)-hexadecahydro-cyclopenta[a]phenanthren-17-yl]-heptanoic acid 
• 159014-55-8 3α,12α-diacetoxy-17β-ethenyl-5β-androstane 
• 159014-56-9 3α,12α-diacetoxy-17β-formyl-5β-androstane 

Relevant articles and documents

Synthesis and biological activity of bile acid-derived HMG-CoA reductase inhibitors. The role of 21-methyl in recognition of HMG-CoA reductase and the ileal bile acid transport system

To increase hepatoselectivity of HMG-CoA reductase inhibitors by using the specific bile acid transport systems, deoxycholic acid-derived inhibitors 9 and 11 have been synthesized, on the basis of the concept of combining in one molecule structural requirements for specific inhibition of the HMG-CoA reductase and specific recognition by the ileal bile acid transport system. The 1-methyl-3-carboxylpropyl subunit of deoxycholic acid was replaced by the 3,5-dihydroxy-heptanoic acid lactone of lovastatin, and position 12-OH was esterified with 2-methylbutyric acid. Compounds 9 and 11 were evaluated for their inhibitory activity on rat liver HMG-CoA reductase, cholesterol biosynthesis in HEP G2 cells, and [3H]taurocholate uptake in rabbit brush border membrane vesicles and compared with methyl derivatives 8 and 10. The steroidal 21-CH3 group affects both activity on HMG-CoA reductase and recognition by the ileal bile acid transport system.