Anhydro Abiraterone

Base Information

Chemical Name:Anhydro Abiraterone
CAS No.:154229-20-6
Molecular Formula:C24H29N
Molecular Weight:331.49
Hs Code.:
UNII:PNX2GEV6HN
DSSTox Substance ID:DTXSID901273491
Nikkaji Number:J686.886J
Mol file:154229-20-6.mol

Synonyms:Anhydro Abiraterone;154229-20-6;PNX2GEV6HN;Pyridine, 3-androsta-3,5,16-trien-17-yl-;17-(3-Pyridyl)androsta-3,5,16-triene;17-(Pyridin-3-yl)androsta-3,5,16-triene;3-[(8R,9S,10R,13S,14S)-10,13-dimethyl-2,7,8,9,11,12,14,15-octahydro-1H-cyclopenta[a]phenanthren-17-yl]pyridine;3-((8R,9S,10R,13S,14S)-10,13-dimethyl-2,7,8,9,10,11,12,13,14,15-decahydro-1H-cyclopenta[a]phenanthren-17-yl)pyridine;UNII-PNX2GEV6HN;Anhydro abiraterone [USP];ABIRATERONE IMPURITY 6;SCHEMBL1964525;LAZGFPQCCUTDPH-NHFPKVKZSA-N;DTXSID901273491;AMY39100;ANHYDRO ABIRATERONE [USP IMPURITY];17-(3-Pyridinyl)androsta-3,5,16-triene

Suppliers and Price of Anhydro Abiraterone

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
AnhydroAbiraterone
10mg
$ 1320.00

Medical Isotopes, Inc.
AnhydroAbiraterone
10 mg
$ 790.00

Total 20 raw suppliers

Chemical Property of Anhydro Abiraterone

Chemical Property:

Boiling Point:475.0±45.0 °C(Predicted)
PKA:5.31±0.12(Predicted)
PSA：12.89000
Density:1.10±0.1 g/cm3(Predicted)
LogP:6.20380
Storage Temp.:-20°C Freezer
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:5.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:331.229999929
Heavy Atom Count:25
Complexity:641

Purity/Quality:

99% ^*data from raw suppliers

AnhydroAbiraterone ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC12CCC=CC1=CCC3C2CCC4(C3CC=C4C5=CN=CC=C5)C
Isomeric SMILES:C[C@]12CCC=CC1=CC[C@@H]3[C@@H]2CC[C@]4([C@H]3CC=C4C5=CN=CC=C5)C
Uses Anhydro Abiraterone is an impurity of Abiraterone (A108490), a steroidal cytochrome P 450 17α-hydroxylase-17,20-lyase inhibitor (CYP17), is currently undergoing phase II clinical trials as a potential drug for the treatment of androgen-dependent prostate cancer.

Technology Process of Anhydro Abiraterone

There total 3 articles about Anhydro Abiraterone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 84.0%

: 497-19-8
sodium carbonate

: 89878-14-8
3-Diethylboranylpyridine

: 154229-36-4
androsta-3,5,16-trien-17-yl trifluoromethanesulfonate

: 154229-20-6
17-(3-pyridyl)androsta-3,5,16-triene

Guidance literature:: bis(triphenylphosphine)palladium(II)-chloride; In tetrahydrofuran;

Reference yield: 84.0%

: 89878-14-8
3-Diethylboranylpyridine

: 154229-36-4
androsta-3,5,16-trien-17-yl trifluoromethanesulfonate

: 154229-20-6
17-(3-pyridyl)androsta-3,5,16-triene

Guidance literature:: With bis(triphenylphosphine)palladium(II)-chloride; sodium carbonate; In tetrahydrofuran; at 80 ℃; for 1h;
DOI:10.1021/jm00013a022

Reference yield:

: 853-23-6
prasterone acetate

: 154229-20-6
17-(3-pyridyl)androsta-3,5,16-triene

Guidance literature:: Multi-step reaction with 2 steps

1: 10 percent / 2,6-di-tert-butyl-4-methylpyridine / CH₂Cl₂ / 12 h

2: 84 percent / bis(triphenylphosphine)palladium(II) chloride, aq. Na₂CO₃ / tetrahydrofuran / 1 h / 80 °C

With 2,6-di-tert-butyl-4-methylpyridine; bis(triphenylphosphine)palladium(II)-chloride; sodium carbonate; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jm00013a022