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

CAS: 1398046-21-3 Cat. No.: P657042 分子式: C₂₄H₁₉F₄N₅O₂S 分子量: 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

概要

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

同義語

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

仕様と純度

Moligand™, ≥98%

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

ANTAGONIST

作用メカニズム

Androgen Receptor antagonist

純度

≥98%

製品の性質

• ALogP: 4.3

名前と識別子

• カノニカル・スマイル: 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
• 異性体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
• 代替CAS番号: 1398046-21-3
• PubChem CID: 60194102
• MeSH用語: 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
• 分子量: 517.5

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

AR Tclin Androgen receptor (0 Activities)

Discover Target: AR

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

化学的性質と物理的性質

• 溶解度: DMSO : 100 mg/mL (193.24 mM; Need ultrasonic)
• 分子量: 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

よくある質問

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.