Rezvilutamide - ≥99% , Androgen Receptor antagonist, CAS No.1572045-62-5, Androgen Receptor antagonist

CAS: 1572045-62-5 Cat. No.: R649377 Formula: C₂₂H₂₀F₃N₃O₄S Molecular Weight: 479.47 PubChem CID: 89995232

GRADE & PURITY ≥99%

Synonyms

Rezvilutamide | GTPL12798 | Benzonitrile, 4-(3-(4-((2S)-2,3-dihydroxypropoxy)phenyl)-4,4-dimethyl-5-oxo-2-thioxo-1-imidazolidinyl)-2-(trifluoromethyl)- | HY-137448 | 1572045-62-5 | AKOS040756903 | CHEMBL4650276 | UNII-70FJN2AW22 | GLXC-26908 | Ariane | (S

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Rezvilutamide (SHR3680) is an androgen receptor antagonist. Rezvilutamide (SHR3680) is used for the study of prostate cancer.

Form:Solid

Specifications

Synonyms

Rezvilutamide | GTPL12798 | Benzonitrile, 4-(3-(4-((2S)-2,3-dihydroxypropoxy)phenyl)-4,4-dimethyl-5-oxo-2-thioxo-1-imidazolidinyl)-2-(trifluoromethyl)- | HY-137448 | 1572045-62-5 | AKOS040756903 | CHEMBL4650276 | UNII-70FJN2AW22 | GLXC-26908 | Ariane | (S

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Rezvilutamide (SHR3680) is an androgen receptor antagonist. Rezvilutamide (SHR3680) is used for the study of prostate cancer.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

ANTAGONIST

Mechanism of action

Androgen Receptor antagonist

Purity

≥99%

Product Properties

• ALogP: 2.9

Names and Identifiers

• Canonical Smiles: CC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)OC[C@H](CO)O)C3=CC(=C(C=C3)C#N)C(F)(F)F)C
• IUPAC Name: 4-[3-[4-[(2S)-2,3-dihydroxypropoxy]phenyl]-4,4-dimethyl-5-oxo-2-sulfanylideneimidazolidin-1-yl]-2-(trifluoromethyl)benzonitrile
• InChIKey: KRBMOYIWQCZVHA-INIZCTEOSA-N
• INCHI: 1S/C22H20F3N3O4S/c1-21(2)19(31)27(15-4-3-13(10-26)18(9-15)22(23,24)25)20(33)28(21)14-5-7-17(8-6-14)32-12-16(30)11-29/h3-9,16,29-30H,11-12H2,1-2H3/t16-/m0/s1
• Isomeric SMILES: CC1(C(=O)N(C(=S)N1C2=CC=C(C=C2)OC[C@H](CO)O)C3=CC(=C(C=C3)C#N)C(F)(F)F)C
• PubChem CID: 89995232
• Molecular Weight: 479.47

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 Alpha amino acids and derivatives N-phenylthioureas Benzonitriles Phenol ethers Phenoxy compounds Alkyl aryl ethers Imidazolidinones Secondary alcohols 1,2-diols Thioureas Nitriles Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylimidazolidine - Alpha-amino acid or derivatives - Trifluoromethylbenzene - N-phenylthiourea - Phenoxy compound - Benzonitrile - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Imidazolidinone - Benzenoid - 1,2-diol - Thiourea - Secondary alcohol - Carboxylic acid derivative - Ether - Azacycle - Carbonitrile - Nitrile - Alkyl halide - Alkyl fluoride - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Primary alcohol - Carbonyl group - Organic oxide - Cyanide - Organic oxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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

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

Chemical and Physical Properties

• Solubility: DMSO : 100 mg/mL (208.56 mM; Need ultrasonic)
• Molecular Weight: 479.500 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 479.113 Da
• Monoisotopic Mass: 479.113 Da
• Topological Polar Surface Area: 129.000 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 791.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

Frequently Asked Questions

What is the purity of this product?

This product is supplied at ≥99% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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 1572045-62-5, the molecular formula is C22H20F3N3O4S, and the molecular weight is 479.47 g/mol. InChIKey KRBMOYIWQCZVHA-INIZCTEOSA-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.