CAS Number154229-18-2
Synonyms17-(3-pyridyl)-5,16-androstadien-3beta-acetate; Abiraterone acetate; Zytiga; (3β)-17-(3-Pyridinyl)androsta-5,16-dien-3-yl acetate; (3β)-17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate; Abiraterone (acetate)
Molecular FormulaC26H33NO2
Molecular Weight391.55
Purity98%%
Density1.1±0.1 g/cm3
Boiling Point506.7±50.0 °C at 760 mmHg
Melting Point127-130°C
AppearanceSolid;White to Light yellow to Light orange powder to crystal
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 154229-18-2 |
| Catalog No. | 2A-9061543 |
| Chinese Name | 乙酸阿比特龙酯 |
| Synonyms | 17-(3-pyridyl)-5,16-androstadien-3beta-acetate; Abiraterone acetate; Zytiga; (3β)-17-(3-Pyridinyl)androsta-5,16-dien-3-yl acetate; (3β)-17-(pyridin-3-yl)androsta-5,16-dien-3-yl acetate; Abiraterone (acetate) |
| Molecular Formula | C26H33NO2 |
| Molecular Weight | 391.55 |
| Purity | 98% |
| Density | 1.1±0.1 g/cm3 |
| Boiling Point | 506.7±50.0 °C at 760 mmHg |
| Melting Point | 127-130°C |
| Appearance | Solid;White to Light yellow to Light orange powder to crystal |
| Storage Condition | -20°C Freezer |
| Application | Abiraterone acetate is an oral, potent, selective and irreversible inhibitor of CYP17. |
| HTC | 2933399090 |
| MDL Number | C26H33NO2 |
| SMILES | CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C(c4cccnc4)=CCC32)C1 |
| 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 |
| MSDS | msds/61543_1_154229_18_2.pdf |
| Use of | Abiraterone acetate is an oral, potent, selective, and irreversible inhibitor of CYP17. Properties Name abiraterone acetate Synonym More Synonyms Abiraterone Acetate Biological Activity Description Abiraterone acetate is an oral, potent, selective, and irreversible inhibitor of CYP17. Related Catalog Signaling Pathways >> Metabolic Enzyme/Protease >> Cytochrome P450 Research Areas >> Cancer In Vitro Abiraterone (Abi) acetate is an ester prodrug of the anticancer agent Abiraterone, which 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[1]. 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 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 Abiraterone significantly inhibited CRPC progression in the robustly growing subset, effectively putting a ceiling on tumor growth over 4 weeks of treatment (P<0.00001)[3]. 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]. 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. [3]. 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. [4]. Lee GT, et al. Intracrine androgen biosynthesis in renal cell carcinoma. Br J Cancer. 2017 Mar 28;116(7):937-943. Chemical & Physical Properties Molecular Formula C26H33NO2 Exact Mass 391.251129 PSA 39.19000 Index of Refraction 1.584 InChIKey UVIQSJCZCSLXRZ-UBUQANBQSA-N Safety Information Signal Word Danger Hazard Statements H360-H372 Precautionary Statements P201-P260-P280-P308 + P313 Target Organs Endocrine system Hazard Codes Xi RIDADR NONH for all modes of transport RTECS BV7992100 HS Code 2933399090 Precursor & DownStream Precursor 10 CAS#:115375-60-5 (3β)-Androsta-5... CAS#:1692-25-7 3-Pyridylboroni... CAS#:108-24-7 Ethanoic anhydride CAS#:154229-19-3 Abiraterone DownStream 1 CAS#:154229-19-3 Abiraterone |
| 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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