Abiraterone Acetate (HCID 9821849)

Überblick

Abiraterone acetate can cause developmental toxicity, female reproductive toxicity and male reproductive toxicity according to state or federal government labeling requirements.

Namen und Bezeichner

Bevorzugter Name: Abiraterone Acetate
IUPAC: [(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
Englischer Name: Abiraterone acetate
Summenformel: C26H33NO2
Molmasse: 391.55

Namen und Synonyme

Abiraterone acetate154229-18-2ZytigaCB7630CB-7630Yonsa17-(3-Pyridyl)-5,16-androstadien-3beta-acetateDTXSID3049043EM5OCB9YJ6NSC-748121NSC-74922717-(pyridin-3-yl)androsta-5,16-dien-3beta-yl acetate

Weitere Namen anzeigen

(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 acetateABITATERONE ACETATEAbiraterone Acotate(3β)-17-(3-pyridinyl) androsta-5,16-dien-3-yl acetate(3)-17-(3-Pyridinyl)androsta-5,16-dien-3-ol Acetate (Ester)(3beta)-17-(3-pyridinyl)-Androsta-5,16-dien-3-ol acetate (ester)[(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] acetateCS-212

JNJ-212082DTXCID4028969CHEBI:68639AKEEGA COMPONENT ABIRATERONE ACETATEAndrosta-5,16-dien-3-ol, 17-(3-pyridinyl)-, acetate (ester), (3beta)-ABIRTEGARefChem:57134BR9004

Datenbank-Bezeichner

CAS: 154229-18-2
PubChem CID: 9821849
DTXSID: DTXSID3049043
ChEMBL: CHEMBL271227
ChEBI: CHEBI:68639
UNII: EM5OCB9YJ6
EC Number: 620-314-7
Nikkaji: J617.458B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 5,2
Polarare Oberfläche (TPSA): 39,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 3
Schwere Atome: 29
Formalladung: 0
Komplexität: 739

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Used in Switzerland

Human Drugs · 5 Einträge

FDA approved drugs -> Active ingredient

EMA approved medicines: Human medicine

FDA approved drugs -> Active ingredient

Physikochemische Eigenschaften

Schmelzpunkt: 127 · 127-130°C
Siedepunkt: 506.7 · 506.7±50.0 °C(Predicted)
Dichte: 1.14 · 1.14±0.1 g/cm3(Predicted)
storage temp.: -20 °C · -20°C
Löslichkeit: Chloroform (Slightly), DMSO (Sparingly), Methanol (Sparingly)
pka: 5.31 · 5.31±0.12(Predicted)
Aggregatzustand: powder
Farbe: white to beige
InChIKey: UVIQSJCZCSLXRZ-UBUQANBQSA-N
SMILES: C1[C@@]2(C)C(=CC[C@]3([H])[C@]2([H])CC[C@]2(C)C(C4=CC=CN=C4)=CC[C@@]32[H])C[C@@H](OC(=O)C)C1

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 5.1% (2 of 39) of reports.

Danger

H302 (74.4%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P260, P264, P270, P273, P280, P301+P317, P318, P319, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 20 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory InformationHazard Traits - Developmental Toxicity; Reproductive Toxicity

Hazard Classes and CategoriesAcute Tox. 4 (74.4%)

Toxikologische Informationen

Drug Induced Liver Injury · 6 Einträge

Drug Induced Liver Injury Rank (DILIrank 2.0)

Abiraterone acetate

vMost-DILI-concern

8

Warnings & precautions

DOI:10.1016/j.drudis.2016.02.015

Sicherheitsdaten

wgk: 3
hs_code: 2937290000
RTECS-Nr.: BV7992100
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Aquatic Chronic 1Repr. 1BSTOT RE 2

Chemie und Industrie

Pharmakologische Informationen

FDA Pharmacological Classification · 2 Einträge

ABIRATERONE ACETATE

Cytochrome P450 2D6 Inhibitors [MoA]; Cytochrome P450 2C8 Inhibitors [MoA]; Cytochrome P450 17A1 Inhibitors [MoA]; Cytochrome P450 17A1 Inhibitor [EPC]

MeSH Pharmacological Classification · 3 Einträge

Substances that inhibit or prevent the proliferation of NEOPLASMS.

Compounds that bind to and inhibit enzymes involved in the synthesis of STEROIDS.

Drugs and compounds which inhibit or antagonize the biosynthesis or actions of CYTOCHROME P-450 ENZYMES.

Anwendungen · 2 Einträge

BeschreibungIn April 2011, the United States FDA approved abiraterone acetate (CB7630) in combination with the steroid prednisone for the treatment of metastatic castration-resistant prostate cancer (mCRPC) for patients who were previously treated with a docetaxel containing regimen for late-stage disease. Abiraterone acetate affects prostate, testicular, and adrenal androgens by irreversibly inhibiting both the lyase and hydroxylase activity of cytochrome P450 17A (CYP17) signaling pathways (IC50's of 2.9 and 4 nM, respectively) thereby decreasing testosterone levels.Most common serious adverse events for abiraterone acetate versus placebo included fluid retention (30.5% vs. 22.3%), hypokalemia (17.1% vs. 8.4%), hypertension (9.7% vs. 7.9%), hepatic transaminase abnormalities (10.4% vs. 8.1%), and cardiac abnormalities (13.3% vs. 10.4%).

VerwendenAbiraterone acetate is a novel steroidal inhibitor of human Cytochrome P450 (17α-Hydroxylase-C17,20-lyase): potential agent for the treatment of prostatic cancer.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine Abiraterone (3β)-Androsta-5,16-diene-3,17-diol 3-Acetate 17-(Trifluoromethanesulfonate)3-Pyridylboronic acid Diethyl(3-pyridyl)borane 3-Brompyridin 3β-Hydroxyandrost-5-en-17-onacetat

Anbieter50 Anbieter

北京华美互利生物化工010-56205725 · [email protected]

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

山东雨禾医药科技有限公司15263077727

T&W GROUP021-61551611 13296011611 · [email protected]

Ergänzende Hinweise · 1 Eintrag

DefinitionChEBI: A sterol ester obtained by formal condensation of the 3-hydroxy group of abiraterone with the carboxy group of acetic acid. A prodrug that is converted in vivo to abiraterone. Used for treatment of metastatic castrate-resistant prostate cance .