Proxalutamide - Moligand™, ≥98% , Androgen Receptor antagonist, CAS No.1398046-21-3, Androgen Receptor antagonist

CAS: 1398046-21-3 Cat. No.: P657042 Peso molecular: 517.5 PubChem CID: 60194102

GRADE & PURITY Moligand™, ≥98%

Synonyms

MS-29600 | QX6O64GP40 | 1398046-21-3 | Pruxelutamide | PRUXELUTAMIDE [INN] | GTPL11992 | 4-[4,4-dimethyl-3-[6-[3-(1,3-oxazol-2-yl)propyl]pyridin-3-yl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]-3-fluoro-2-(trifluoromethyl)benzonitrile | EX-A5434 | Proxalutam

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Proxalutamide (GT0918) is an orally active potent androgen receptor (AR) antagonist. Proxalutamide (GT0918) can be used in the study for prostate cancer and COVID-19.

Form:Solid

IC50& Target:Androgen Receptor.

In Vitro:Proxalutamide (GT0918) down-regulates AR protein level in prostate cancer cells. Proxalutamide can overcome the resistance of prostatic cancer cells by downregulating the expression of AR genes. Proxalutamide (GT0918, 0-200 μM) dose-dependently inhibits cell viability in LNCaP and 22RV1. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Cell Viability Assay. Cell Line: Four human PCa cell lines, LNCaP, 22RV1, PC3 and DU145. Concentration: 1, 2, 5, 10, 20, 50, 100, and 200 μM. Incubation Time: Up to 72 h. Result: Preferentially affected AR-positive PCa cells (IC 50 values from 6.90 to 32.07 μM) over AR-negative cells (IC 50 > 200 μM).

In Vivo:The elimination half-life (t 1/2 ) of proxalutamide in rats is approximately 2 h regardless of whether it is administered by the intragastric or the intravenous route. The maximum plasma concentration of proxalutamide (Cmax) could reach 2 μg/mL or higher, and the oral absolute bioavailability (F) was approximately 80% [4] . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Rats [4] . Dosage: 20 mg/kg (Pharmacokinetic Analysis). Administration: Intragastrically. Result: T 1/2 = 2 h and F% = 80%

Specifications

Sinónimos

MS-29600 | QX6O64GP40 | 1398046-21-3 | Pruxelutamide | PRUXELUTAMIDE [INN] | GTPL11992 | 4-[4, 4-dimethyl-3-[6-[3-(1, 3-oxazol-2-yl)propyl]pyridin-3-yl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]-3-fluoro-2-(trifluoromethyl)benzonitrile | EX-A5434 | Proxalutam

Especificaciones y pureza

Moligand™, ≥98%

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ANTAGONIST

Mecanismo de acción

Androgen Receptor antagonist

Pureza

≥98%

Propiedades del producto

• ALogP: 4.3

Nombres e identificadores

• Sonrisas canónicas: CC1(C(=O)N(C(=S)N1C2=CN=C(C=C2)CCCC3=NC=CO3)C4=C(C(=C(C=C4)C#N)C(F)(F)F)F)C
• IUPAC Name: 4-[4,4-dimethyl-3-[6-[3-(1,3-oxazol-2-yl)propyl]pyridin-3-yl]-5-oxo-2-sulfanylideneimidazolidin-1-yl]-3-fluoro-2-(trifluoromethyl)benzonitrile
• InChIKey: KCBJGVDOSBKVKP-UHFFFAOYSA-N
• INCHI: 1S/C24H19F4N5O2S/c1-23(2)21(34)32(17-9-6-14(12-29)19(20(17)25)24(26,27)28)22(36)33(23)16-8-7-15(31-13-16)4-3-5-18-30-10-11-35-18/h6-11,13H,3-5H2,1-2H3
• Isómeros SMILES: CC1(C(=O)N(C(=S)N1C2=CN=C(C=C2)CCCC3=NC=CO3)C4=C(C(=C(C=C4)C#N)C(F)(F)F)F)C
• CAS alternativo: 1398046-21-3
• PubChem CID: 60194102
• Términos de entrada MeSH: 4-(4,4-dimethyl-3-(6-(3-(2-oxazolyl)propyl)-3-pyridinyl)-5-oxo-2-thioxo-1-imidazolidinyl)-3-fluoro-2-(trifluoromethyl)benzonitrile;GT 0918;GT-0918;GT0918;proxalutamide
• Peso molecular: 517.5

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azolidines
      • Subclass Imidazolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azolidines
• Subclass: Imidazolidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylimidazolidines
• Alternative Parents: Trifluoromethylbenzenes N-phenylthioureas Alpha amino acids and derivatives Benzonitriles Fluorobenzenes Pyridines and derivatives Imidazolidinones Aryl fluorides Oxazoles Heteroaromatic compounds Thioureas Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylimidazolidine - Trifluoromethylbenzene - N-phenylthiourea - Alpha-amino acid or derivatives - Benzonitrile - Halobenzene - Fluorobenzene - Benzenoid - Pyridine - Imidazolidinone - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Heteroaromatic compound - Oxazole - Azole - Thiourea - Oxacycle - Azacycle - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Alkyl halide - Alkyl fluoride - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylimidazolidines. These are polycyclic compounds containing an imidazoline substituted by a phenyl group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

AR Tclin Androgen receptor (0 Activities)

Discover Target: AR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (193.24 mM; Need ultrasonic)
• Peso molecular: 517.500 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 6
• Exact Mass: 517.12 Da
• Monoisotopic Mass: 517.12 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 893.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1