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154229-19-3 (Abiraterone)

1

Identification

Abiraterone Abiraterone
Name Abiraterone
Formula C24H31NO
MW 349.51
CAS No. 154229-19-3
EINECS
Smiles C[[email protected]]1(CC2)[[email protected]](CC=C1C3=CC=CN=C3)([H])[[email protected]@]4([H])[[email protected]@]2([H])[[email protected]](CC[[email protected]](O)C5)(C)C5=CC4
Synonyms 17-(3-Pyridyl)androsta-5,16-dien-3beta-ol; (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-(pyridin-3-yl)-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
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
2

Introduction

Abiraterone (CB-7598) is a potent steroidal cytochrome P450 17alpha-hydroxylase-17,20-lyase (CYP17) inhibitor with an IC50 at 4 nM.

Background Information

Abiraterone (CB-7598) is a potent steroidal cytochrome P450 17alpha-hydroxylase-17,20-lyase (CYP17) inhibitor with an IC50 at 4 nM. Abiraterone is used in treatment of prostate cancer. IC50 value: Target: CYP17 Abiraterone, a potent suppressor of cytochrome P450 17 α-hydroxysteroid dehydrogenase-mediated androgen production, has heralded a new era in the hormonal treatment of men with metastatic CRPC. Abiraterone acetate is associated with hypokalaemia, hypertension, and fluid retention or oedema, secondary to its mechanism of action, and with cardiac adverse events and hepatotoxicity; however, in the phase III studies the incidences of the most frequently reported grade 3 or 4 adverse events of special interest were relatively low. ......by MedChemexpress Co., Ltd.
Abiraterone is the active metabolite of abiraterone acetate, which is an orally active acetate ester of the steroidal compound abiraterone with antiandrogen activity. Abiraterone acetate was approved by the U.S. Food and Drug Administration (FDA) in April 2011. Abiraterone inhibits the enzymatic activity of steroid 17alpha-monooxygenase (17alpha-hydrolase/C17,20 lyase complex), a member of the cytochrome p450 family that catalyzes the 17alpha-hydroxylation of steroid intermediates involved in testosterone synthesis. Administration of this agent may suppress testosterone production by both the testes and the adrenals to castrate-range levels. Check for active clinical trials or closed clinical trials using this agent. (NCI Thesaurus). Shelf life: >2 years if stored properly Drug formulation: ......by MedKoo Biosciences, Inc.
Abiraterone is a potent CYP17 inhibitor with IC50 of 2 nM in a cell-free assay. ......by Selleck Chemicals LLC
Abiraterone is a potent CYP17 inhibitor with IC50 of 2 nM. ......by Target Molecule Corp.
3

Protocol(Only for Reference)

Cell Experiment

Cell lines LNCaP and VCaP cells
Conditions 0.1-5 μM; 24 hours or 96 hours
Method 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 at 24 hours and 96 hours after plating and cell viability is determined on day 7 by adding CellTiter Glo and measuring luminescence.
Source Selleck Chemicals LLC

Animal Experiment

Animal Models LAPC-4 xenograft mice
Dosage 0.15 mmol/kg
Formulation 0.3% hydroxypropyl cellulose
Administration Administered via s.c.
Source Selleck Chemicals LLC
4

Physical and Chemical Properties

Appearance:White to off-white solid EBNumber:EB000029010

Storage condition

Storage condition:Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years). Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs. by MedKoo Biosciences, Inc.

Solubility

DMSO <1.2mg/mL Water <1.2mg/mL Ethanol <1.2mg/mL by MedChemexpress Co., Ltd.
Soluble in DMSO, not in water by MedKoo Biosciences, Inc.
(25°C) * In vitro DMF 4 mg/mL warming (11.44 mM); Ethanol0.2 mg/mL (0.57 mM); DMSO0.1 mg/mL (0.28 mM) by Selleck Chemicals LLC
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Mechanism and Indication

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Clinical Information

Product Name Sponsor & Collaborators Indications Start Date End Date Phase
Abiraterone Johnson & Johnson Hormone refractory prostate cancer 2013/6/30 2016/6/30 Phase 4 Clinical
Abiraterone Janssen Research & Development LLC Metastatic breast cancer 2012/3/31 2013/7/31 Phase 3 Clinical
Abiraterone Janssen Research & Development LLC Hormone refractory prostate cancer 2012/3/31 2013/7/31 Phase 3 Clinical
Abiraterone The UNICANCER Group Metastatic prostate cancer 2013/10/31 2023/10/31 Phase 3 Clinical
Abiraterone Alliance for Clinical Trials in Oncology Hormone refractory prostate cancer 2013/12/31 2019/12/1 Phase 3 Clinical
Abiraterone - Launched
7

Safety Data of Abiraterone

8

Spectral Information

9

Suppliers List

Company Price and Availability Country/Region
Angelisun (Chongqing) Pharmaceutical Co., Ltd. China
Arromax Pharmatech Co., Ltd. China
Biochem Tek(Shanghai) Co., ltd. China
BrightGene Bio-medical Technology Co., Ltd. China
CHEMSCENE, LLC 100mg/USD80(In stock) USA
Linxiang Huanyu Pharmaceutical Co., Ltd. China
MedChemexpress Co., Ltd. 10mg/USD50(In stock);50mg/USD62(In stock);100mg/USD80(In stock);200mg/USD100(In stock);500mg/USD120(In stock);1g/USD150(In stock);2g/USD240(In stock);5g/USD440(In stock) USA
MedKoo Biosciences, Inc. USA
Selleck Chemicals LLC 5mg/USD170(In stock);25mg/USD570(In stock);100mg/USD1670(In stock) USA
Shanghai Haoyuan Chemexpress Co., Ltd. 100mg/USD226(In stock) China
Target Molecule Corp. 5mg/USD78();10mg/USD110();25mg/USD166();50mg/USD258() USA
10

Related Products

Other Forms of 154229-19-3

Name CAS No Formula MW
Abiraterone (acetate) 154229-18-2 C26H33NO2 391.55

Recommended Compounds in Cytochrome P450

Name CAS No Formula MW
Dafadine-A 1065506-69-5 C23H25N3O3 391.46
VT-464 (racemate) 1375603-36-3 C18H17F4N3O3 399.34
VT-464 1610537-15-9 C18H17F4N3O3 399.34
Isosilybin 72581-71-6 C25H22O10 482.44
Memantine (hydrochloride) 41100-52-1 C12H22ClN 215.76
Clarithromycin 81103-11-9 C38H69NO13 747.95
(+)-Ketoconazole 142128-59-4 C26H28Cl2N4O4 531.43
Ketoconazole 65277-42-1 C26H28Cl2N4O4 531.43
Galangin 548-83-4
Bergapten 484-20-8 C12H8O4 216.19
Naringin 10236-47-2 C27H32O14 580.53
Diosmetin 520-34-3 C16H12O6 300.26
Fenofibrate 49562-28-9 C20H21ClO4 360.83
4-hydroxy-7H-furo[3,2-g]chromen-7-one 486-60-2 C11H6O4 202.16
(R)-Talarozole 870093-23-5 C21H23N5S 377.51
Choline Fenofibrate 856676-23-8 C22H28ClNO5 421.91
Talarozole 201410-53-9 C21H23N5S 377.51
BAL 4815 241479-67-4 C22H17F2N5OS 437.47
Cobicistat 1004316-88-4 C40H53N7O5S2 776.02
Methoxsalen 298-81-7 C12H8O4 216.19

Recommended Compounds in Same Indication

Name CAS No Formula MW
TAK-700 (R-form) 752243-39-3 C18H17N3O2 307.35
Olaparib 763113-22-0 C24H23FN4O3 434.46
KX2-391 897016-82-9 C26H29N3O3 431.53
AT-101 90141-22-3 C30H30O8 518.55
Bicalutamide 90357-06-5 C18H14F4N2O4S 430.37
Enzalutamide 915087-33-1 C21H16F4N4O2S 464.44
Tivozanib 475108-18-0 C22H19ClN4O5 454.86
Orteronel 566939-85-3 C18H17N3O2 307.35
Linsitinib 867160-71-2 C26H23N5O 421.49
Fenretinide 65646-68-6 C26H33NO2 391.55
Leuprolide (Acetate) 74381-53-6 C61H88N16O14 1269.45
Retaspimycin 857402-23-4 C31H45N3O8 587.7
Retaspimycin (Hydrochloride) 857402-63-2 C31H46ClN3O8 624.17
(S)-N-(3-([4,5'-bipyrimidin]-2-ylamino)-4-methylphenyl)-4-((3-(dimethylamino)pyrrolidin-1-yl)methyl)-3-(trifluoromethyl)benzamide 859212-16-1 C30H31F3N8O 576.62
AT13387 912999-49-6 C24H31N3O3 409.52
Tasquinimod 254964-60-8 C20H17F3N2O4 406.36
TAK-700 426219-18-3 C18H17N3O2 307.35
TAK-700 (salt) 426219-53-6 C28H28N4O7 532.54
TOK-001 851983-85-2 C26H32N2O 388.55
Cabozantinib 849217-68-1 C28H24FN3O5 501.51
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Route of Synthesis

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References

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More Information

Abiraterone

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