CAS Number154229-19-3
Synonyms(3beta)-17-(3-pyridinyl)-androsta-5,16-dien-3-ol; EINECS 810-941-6
Molecular FormulaC24H31NO
Molecular Weight349.52
Purity96+%
Density1.14g/cm3
Boiling Point500.2±50.0 °C at 760 mmHg
Melting Point227-228 °C
AppearanceSolid;White to Almost white powder to crystal
EINECS0
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 154229-19-3 |
| Catalog No. | 2A-2096752 |
| Chinese Name | 阿比特龙 |
| Synonyms | (3beta)-17-(3-pyridinyl)-androsta-5,16-dien-3-ol; EINECS 810-941-6 |
| Molecular Formula | C24H31NO |
| Molecular Weight | 349.52 |
| Purity | 96+ |
| Density | 1.14g/cm3 |
| Boiling Point | 500.2±50.0 °C at 760 mmHg |
| Melting Point | 227-228 °C |
| Appearance | Solid;White to Almost white powder to crystal |
| Storage Condition | 2-8°C |
| Application | Abiraterone is a potent, selective, and irreversible CYP17 inhibitor with an IC50 of 2 to 4 nM. |
| EINECS | 0 |
| HTC | 2933399090 |
| UN(IATA) | 0 |
| PubChem ID | 10243249 |
| MDL Number | C24H31NO |
| SMILES | CC12CCC(O)CC1=CCC1C2CCC2(C)C(c3cccnc3)=CCC12 |
| InChI | InChI=1S/C24H31NO/c1-23-11-9-18(26)14-17(23)5-6-19-21-8-7-20(16-4-3-13-25-15-16)24(21,2)12-10-22(19)23/h3-5,7,13,15,18-19,21-22,26H,6,8-12,14H2,1-2H3/t18-,19-,21-,22-,23-,24+/m0/s1 |
| InChI Key | GZOSMCIZMLWJML-VJLLXTKPSA-N |
| MSDS | msds/96752_1_154229_19_3.pdf |
| Use of | Abiraterone is a potent, selective, and irreversible CYP17 inhibitor with IC50 of 2 to 4 nM. Properties Name Abiraterone Synonym More Synonyms Abiraterone Biological Activity Description Abiraterone is a potent, selective, and irreversible CYP17 inhibitor with IC50 of 2 to 4 nM. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Research Areas >> Cancer IC50: 2 to 4 nM (CYP17)[1] In Vitro Significant inhibition of proliferation of the AR-positive prostate cancer cell lines LNCaP and VCaP with doses of Abiraterone ≥5 μM is confirmed[2]. Abiraterone shows IC50 values of 15 nM and 2.5 nM for the 17,20-lyase and 17α-hydroxylase (CYP17 is a bifunctional enzyme with both 17α-hydroxylase and 17,20-lyase activity). Abiraterone inhibits human 17,20-lyase and 17α-hydroxylase with IC50 of 27 and 30 nM respectively[3]. Abiraterone inhibits recombinant human 3βHSD1 and 3βHSD2 activity with competitive Ki values of 2.1 and 8.8 μM. 10 μM Abiraterone is sufficient to completely block synthesis of 5α-dione and DHT in both cell lines.Treatment with abi significantly inhibited CRPC progression in the robustly growing subset, effectively putting a ceiling on tumor growth over 4 weeks of treatment (P<0.00001). [3H]-dehydroepiandrosterone (DHEA) depletion and Δ4-androstenedione (AD) accumulation are inhibited by Abiraterone in LNCaP, with an IC50<1 μM[4]. Cell Assay LNCaP and VCaP cells are seeded in 96-well plates and grown in CSS-supplemented phenol red-free or FBS-supplemented media for 7 days. Cells are treated with Abiraterone (5 μM and 10 μM) at 24 and 96 hours after plating and cell viability is determined on day 7 by adding CellTiter Glo and measuring luminescence[2]. References [1]. Attard G, et al. Phase I clinical trial of a selective inhibitor of CYP17, abiraterone acetate, confirms that castration-resistant prostate cancer commonly remains hormone driven. J Clin Oncol. 2008 Oct 1;26(28):4563-71. [3]. Stein MN, et al. Androgen synthesis inhibitors in the treatment of castration-resistant prostate cancer. Asian J Androl. 2014 May-Jun;16(3):387-400. [4]. Li R, et al. Abiraterone inhibits 3β-hydroxysteroid dehydrogenase: a rationale for increasing drug exposure in castration-resistant prostate cancer. Clin Cancer Res. 2012 Jul 1;18(13):3571-9. [5]. Kumar SV, et al. Validated RP-HPLC/UV method for the quantitation of abiraterone in rat plasma and its application to a pharmacokinetic study in rats. Biomed Chromatogr. 2013 Feb;27(2):203-7. Chemical & Physical Properties Molecular Formula C24H31NO Exact Mass 349.240570 PSA 33.12000 Index of Refraction 1.606 InChIKey GZOSMCIZMLWJML-VJLLXTKPSA-N Safety Information Hazard Codes Xn HS Code 2933399090 Synthetic Route Abiraterone Ac... 154229-18-2 Abiraterone 154229-19-3 3-((3S,8R,9S,10... 1421704-60-0 Abiraterone 154229-19-3 Androsta-5,16-d... 1429742-49-3 Abiraterone 154229-19-3 Precursor & DownStream Precursor 8 CAS#:154229-18-2 Abiraterone Acetate CAS#:626-55-1 3-Bromopyridine CAS#:34988-34-6 N-[(3-hydroxy-1... CAS#:60-29-7 Diethyl ether DownStream 1 CAS#:154229-18-2 Abiraterone Acetate |
| Tax Rebate | 13.0% |
| Supervision | None. MFN tariff: 6.5%. Ordinary tariff: 20.0% |
| Transport Info | Product name: Summary 2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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