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154229-18-2 | Abiraterone Acetate
CAS No: 154229-18-2 Catalog No: AG00362K MDL No:MFCD00934213
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 |
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