Home Other Building Blocks Abiraterone Acetate

Abiraterone Acetate

CAS No.:
154229-18-2
Catalog Number:
AG00362K
Molecular Formula:
C26H33NO2
Molecular Weight:
391.5457
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
50mg
95%
In Stock USA
United States
$44
- +
100mg
95%
In Stock USA
United States
$75
- +
250mg
95%
In Stock USA
United States
$107
- +
Product Description
Catalog Number:
AG00362K
Chemical Name:
Abiraterone Acetate
CAS Number:
154229-18-2
Molecular Formula:
C26H33NO2
Molecular Weight:
391.5457
MDL Number:
MFCD00934213
IUPAC Name:
[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-pyridin-3-yl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
InChI:
InChI=1S/C26H33NO2/c1-17(28)29-20-10-12-25(2)19(15-20)6-7-21-23-9-8-22(18-5-4-14-27-16-18)26(23,3)13-11-24(21)25/h4-6,8,14,16,20-21,23-24H,7,9-13,15H2,1-3H3/t20-,21-,23-,24-,25-,26+/m0/s1
InChI Key:
UVIQSJCZCSLXRZ-UBUQANBQSA-N
SMILES:
CC(=O)O[C@H]1CC[C@]2(C(=CC[C@@H]3[C@@H]2CC[C@]2([C@H]3CC=C2c2cccnc2)C)C1)C
UNII:
EM5OCB9YJ6
Properties
Complexity:
739  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
6  
Defined Bond Stereocenter Count:
0
Exact Mass:
391.251g/mol
Formal Charge:
0
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
391.555g/mol
Monoisotopic Mass:
391.251g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Literature
Title Journal
Differential response to abiraterone acetate and di-n-butyl phthalate in an androgen-sensitive human fetal testis xenograft bioassay. Toxicological sciences : an official journal of the Society of Toxicology 20140301
Changing paradigms in management of metastatic Castration Resistant Prostate Cancer (mCRPC). BMC urology 20140101
Urologists and oncologists: adapting to a new treatment paradigm in castration-resistant prostate cancer (CRPC). BJU international 20120801
Effect of abiraterone acetate plus prednisone on the QT interval in patients with metastatic castration-resistant prostate cancer. Cancer chemotherapy and pharmacology 20120801
Abiraterone inhibits 3β-hydroxysteroid dehydrogenase: a rationale for increasing drug exposure in castration-resistant prostate cancer. Clinical cancer research : an official journal of the American Association for Cancer Research 20120701
Discovery of potent and orally bioavailable 17β-hydroxysteroid dehydrogenase type 3 inhibitors. Bioorganic & medicinal chemistry 20120515
Novel molecular targets for the therapy of castration-resistant prostate cancer. European urology 20120501
Beyond castration-defining future directions in the hormonal treatment of prostate cancer. Hormones & cancer 20120401
Abiraterone acetate: redefining hormone treatment for advanced prostate cancer. Drug discovery today 20120301
Advances in the management of high-risk localised and metastatic prostate cancer. BJU international 20120301
Abiraterone acetate: a guide to its use in metastatic castration-resistant prostate cancer. Drugs & aging 20120301
The 5α-androstanedione pathway to dihydrotestosterone in castration-resistant prostate cancer. Journal of investigative medicine : the official publication of the American Federation for Clinical Research 20120201
Development and clinical utility of abiraterone acetate as an androgen synthesis inhibitor. Clinical pharmacology and therapeutics 20120101
Abiraterone acetate, a first-in-class CYP17 inhibitor, establishes a new treatment paradigm in castration-resistant prostate cancer. Expert review of anticancer therapy 20120101
Abiraterone acetate: oral androgen biosynthesis inhibitor for treatment of castration-resistant prostate cancer. Drug design, development and therapy 20120101
Optimizing outcomes of advanced prostate cancer: drug sequencing and novel therapeutic approaches. Oncology (Williston Park, N.Y.) 20120101
Successful Treatment of Advanced Metastatic Prostate Cancer following Chemotherapy Based on Molecular Profiling. Case reports in oncology 20120101
Drugs in traffic: the road to approval. Nature medicine 20111206
TMPRSS2-ERG status in circulating tumor cells as a predictive biomarker of sensitivity in castration-resistant prostate cancer patients treated with abiraterone acetate. European urology 20111101
Circulating tumour cells as surrogate biomarkers in castration-resistant prostate cancer trials. European urology 20111101
Clinical implications of the 5α-androstanedione pathway for castration-resistant prostate cancer. Future oncology (London, England) 20111101
Abiraterone acetate: in metastatic castration-resistant prostate cancer. Drugs 20111022
Flushing oral oncology drugs down the toilet. Journal of clinical oncology : official journal of the American Society of Clinical Oncology 20111020
Abiraterone acetate for prostate cancer: a new era of hormonal therapies. Asian journal of andrology 20110901
Phase II study of abiraterone acetate in chemotherapy-naive metastatic castration-resistant prostate cancer displaying bone flare discordant with serologic response. Clinical cancer research : an official journal of the American Association for Cancer Research 20110715
[The trend toward development of novel agents based on the mechanism of prostate cancer progression]. Nihon rinsho. Japanese journal of clinical medicine 20110601
CYP17 inhibitors for prostate cancer therapy. The Journal of steroid biochemistry and molecular biology 20110501
Roflumilast, indacaterol maleate, and abiraterone acetate. Journal of the American Pharmacists Association : JAPhA 20110101
Abiraterone acetate. Drugs in R&D 20101101
CYP17 inhibition as a hormonal strategy for prostate cancer. Nature clinical practice. Urology 20081101
Synthesis, biological evaluation, and molecular modeling studies of methylene imidazole substituted biaryls as inhibitors of human 17alpha-hydroxylase-17,20-lyase (CYP17)--part II: Core rigidification and influence of substituents at the methylene bridge. Bioorganic & medicinal chemistry 20080815
Synthesis, biological evaluation and molecular modelling studies of methyleneimidazole substituted biaryls as inhibitors of human 17alpha-hydroxylase-17,20-lyase (CYP17). Part I: Heterocyclic modifications of the core structure. Bioorganic & medicinal chemistry 20080215
Hormonal impact of the 17alpha-hydroxylase/C(17,20)-lyase inhibitor abiraterone acetate (CB7630) in patients with prostate cancer. British journal of cancer 20040614
Novel steroidal inhibitors of human cytochrome P45017 alpha (17 alpha-hydroxylase-C17,20-lyase): potential agents for the treatment of prostatic cancer. Journal of medicinal chemistry 19950623
Properties