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154229-18-2 (Abiraterone (acetate))

1

Identification

Abiraterone (acetate) Abiraterone (acetate)
Name Abiraterone (acetate)
Formula C26H33NO2
MW 391.55
CAS No. 154229-18-2
EINECS
Smiles C[[email protected]@]1(C(C2=CC=CN=C2)=CC3)[[email protected]]3([H])[[email protected]@](CC=C4[[email protected]]5(C)CC[[email protected]](OC(C)=O)C4)([H])[[email protected]]5([H])CC1
Synonyms (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-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
2

Introduction

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

Background Information

Abiraterone acetate has been seen to be a novel steroidal inhibitor of CYP17A1(C17,20 lyase), a cytoochrome P450 complex, a rate-limiting enzyme in androgen biosynthesis resulting in inhibtion of testosterone production in both the adrenals and the testes. ......by Affix Scientific
Abiraterone blocks the synthesis of androgens by inhibiting CYP17A1. ......by BOC Sciences
Abiraterone acetate is an oral, potent, selective, and irreversible inhibitor of CYP17. ......by MedChemexpress Co., Ltd.
Abiraterone acetate is an FDA approved drug, and 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. FDA Approval this drug in May 2011. Check for active clinical trials or closed clinical trials using this agent. (NCI Thesaurus). Shelf life: >2 years if stored properly Drug formulation: This drug may be formulated in DMSO ......by MedKoo Biosciences, Inc.
Abiraterone Acetate is an acetate salt form of Abiraterone which is a steroidal cytochrome CYP17 inhibitor with IC50 of 72 nM in a cell-free assay. ......by Selleck Chemicals LLC
Abiraterone Acetate is an acetate salt form of Abiraterone which is a steroidal cytochrome CYP17 inhibitor with IC50 of 72 nM. ......by Target Molecule Corp.
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Protocol(Only for Reference)

Cell Experiment

Cell lines LNCaP and VCaP cells
Conditions 0 μM -10 μM; 24 hours and 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 Male NOD/SCID mice with LAPC4 cells
Dosage 0.5 mmol/kg/d
Formulation 0.1 mL 5% benzyl alcohol and 95% safflower oil solution
Administration Administered via s.c.
Source Selleck Chemicals LLC
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Physical and Chemical Properties

Appearance:White to off-white Solid EBNumber:EB000028622

Storage condition

Up to one week at 4°C or six months at -20°C. by Affix Scientific
Storage condition:Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years). Stock solution storage:0 - 4 C for short term (days to weeks), or -20 C for long term (months). 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 ≥18mg/mL Water <1.2mg/mL Ethanol ≥75mg/mL by MedChemexpress Co., Ltd.
Soluble in DMSO, not in water by MedKoo Biosciences, Inc.
(25°C) * In vitro Ethanol 28 mg/mL (71.51 mM); DMSO<1 mg/mL (<1 mM); Water<1 mg/mL (<1 mM); In vivo 5% DMSO+95% Corn oil30 mg/mL 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 (acetate) - Launched
Abiraterone (acetate) Johnson & Johnson Hormone refractory prostate cancer 2013/6/30 2016/6/30 Phase 4 Clinical
Abiraterone (acetate) The UNICANCER Group Metastatic prostate cancer 2013/10/31 2023/10/31 Phase 3 Clinical
Abiraterone (acetate) Alliance for Clinical Trials in Oncology Hormone refractory prostate cancer 2013/12/31 2019/12/1 Phase 3 Clinical
Abiraterone (acetate) Janssen Research & Development LLC Metastatic prostate cancer 2013/2/28 2018/7/31 Phase 3 Clinical
Abiraterone (acetate) Janssen Research & Development LLC Hormone refractory prostate cancer 2012/8/31 2015/8/31 Phase 3 Clinical
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Safety Data of Abiraterone (acetate)

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Spectral Information

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Suppliers List

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Related Products

Other Forms of 154229-18-2

Name CAS No Formula MW
Abiraterone 154229-19-3 C24H31NO 349.51

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 142128-59-4 C26H28Cl2N4O4 531.4309
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
Bergaptol 486-60-2 C11H6O4 202.1629
Talarozole (R enantiomer) 870093-23-5 C21H23N5S 377.5058
Choline Fenofibrate 856676-23-8 C22H28ClNO5 421.91
Talarozole 201410-53-9 C21H23N5S 377.51
Isavuconazole 241479-67-4 C22H17F2N5OS 437.4650864
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
Bafetinib 859212-16-1 C30H31F3N8O 576.6154
AT13387 912999-49-6 C24H31N3O3 409.52
Tasquinimod 254964-60-8 C20H17F3N2O4 406.36
Orteronel (racemate) 426219-18-3 C18H17N3O2 307.3465
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 (acetate)

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