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

CAS: 1398046-21-3 Cat. No.: P657042 Formula: C₂₄H₁₉F₄N₅O₂S Peso molecolare: 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

Panoramica

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

Sinonimi

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

Specifiche e purezza

Moligand™, ≥98%

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

ANTAGONIST

Meccanismo d'azione

Androgen Receptor antagonist

Purezza

≥98%

Proprietà del prodotto

• ALogP: 4.3

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri 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
• Termini 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 molecolare: 517.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

AR Tclin Androgen receptor (0 Activities)

Discover Target: AR

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

Proprietà chimiche e fisiche

• Solubilità: DMSO : 100 mg/mL (193.24 mM; Need ultrasonic)
• Peso molecolare: 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 1398046-21-3, the molecular formula is C24H19F4N5O2S, and the molecular weight is 517.5 g/mol. InChIKey KCBJGVDOSBKVKP-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.