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

CAS: 1572045-62-5 Cat. No.: R649377 분자식: C₂₂H₂₀F₃N₃O₄S 분자량: 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

개요

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

Form:Solid

Specifications

동의어

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

사양 및 순도

≥99%

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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작업 유형

ANTAGONIST

작동 메커니즘

Androgen Receptor antagonist

순수함

≥99%

제품 특성

• ALogP: 2.9

이름과 식별자

• 정식 스마일: 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
• 이성체 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
• 분자량: 479.47

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: DMSO : 100 mg/mL (208.56 mM; Need ultrasonic)
• 분자량: 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

자주 묻는 질문

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.