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Proxalutamide - 98%, high purity , Androgen Receptor antagonist, CAS No.1398046-21-3, Androgen Receptor antagonist

COA

Grade & Purity:

Moligand™

≥98%

Cas Number: 1398046-21-3
Molecular Weight: 517.5
PubChem CID: 60194102

In stock

Item Number

P657042

Grouped product items
SKU	Size	Availability	Price
P657042-1mg	1mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$160.90
P657042-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$380.90
P657042-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$570.90
P657042-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,100.90
P657042-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,750.90

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Basic Description

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
Specifications & Purity	Moligand™, ≥98%
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Grade	Moligand™
Action Type	ANTAGONIST
Mechanism of action	Androgen Receptor antagonist
Product Description	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%

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azolidines
    - Subclass Imidazolidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	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
Description	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
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

Associated Targets(Human)

AR Tclin Androgen receptor (0 Activities)

Discover Target: AR

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

Names and Identifiers

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
INCHI	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
InChIKey	KCBJGVDOSBKVKP-UHFFFAOYSA-N
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
Isomeric 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
Alternate CAS	1398046-21-3
PubChem CID	60194102
MeSH Entry Terms	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
Molecular Weight	517.5

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 100 mg/mL (193.24 mM; Need ultrasonic)
Molecular Weight	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 Å²
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

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