Ralaniten - Moligand™, ≥98% , CAS No.1203490-23-6

CAS: 1203490-23-6 Cat. No.: R648161 Fórmula: C₂₁H₂₇ClO₅ Peso molecular: 394.89

GRADE & PURITY Moligand™, ≥98%

Synonyms

Ralaniten | Ralaniten (USAN/INN) | 1,2-Propanediol, 3-(4-(1-(4-((2S)-3-chloro-2-hydroxypropoxy)phenyl)-1-methylethyl)phenoxy)-, (2R)- | E74798 | D11184 | AKOS040749271 | RALANITEN [INN] | (R)-3-(4-(2-(4-((S)-3-chloro-2-hydroxypropoxy)phenyl)propan-2-yl)ph

Storage

Protected from light,Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

Ralaniten | Ralaniten (USAN/INN) | 1,2-Propanediol, 3-(4-(1-(4-((2S)-3-chloro-2-hydroxypropoxy)phenyl)-1-methylethyl)phenoxy)-, (2R)- | E74798 | D11184 | AKOS040749271 | RALANITEN [INN] | (R)-3-(4-(2-(4-((S)-3-chloro-2-hydroxypropoxy)phenyl)propan-2-yl)ph

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

Ralaniten (EPI-002) is a potent antagonist of the androgen receptor-N-terminal domain (AR-NTD). Ralaniten inhibits AR transcriptional activity, with IC50 of 7.4 μM. Ralaniten can be used for the research of castration-resistant prostate cancer (CRPC).

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Argon charged,Desiccated

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

ANTAGONIST

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: CC(C)(C1=CC=C(C=C1)OCC(CO)O)C2=CC=C(C=C2)OCC(CCl)O
• IUPAC Name: (2R)-3-[4-[2-[4-[(2S)-3-chloro-2-hydroxypropoxy]phenyl]propan-2-yl]phenoxy]propane-1,2-diol
• InChIKey: HDTYUHNZRYZEEB-QZTJIDSGSA-N
• INCHI: 1S/C21H27ClO5/c1-21(2,15-3-7-19(8-4-15)26-13-17(24)11-22)16-5-9-20(10-6-16)27-14-18(25)12-23/h3-10,17-18,23-25H,11-14H2,1-2H3/t17-,18-/m1/s1
• SMILES isoméricas: CC(C)(C1=CC=C(C=C1)OC[C@@H](CO)O)C2=CC=C(C=C2)OC[C@@H](CCl)O
• Peso molecular: 394.89
• Reaxy-Rn: 14524492
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14524492&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylpropanes Phenoxy compounds Phenol ethers Alkyl aryl ethers Secondary alcohols Chlorohydrins 1,2-diols Primary alcohols Organochlorides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Phenylpropane - Phenoxy compound - Phenol ether - Alkyl aryl ether - 1,2-diol - Secondary alcohol - Chlorohydrin - Halohydrin - Ether - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Primary alcohol - Alkyl halide - Alkyl chloride - Hydrocarbon derivative - Alcohol - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• 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

Propriedades químicas e físicas

• Solubilidade: DMSO : 100 mg/mL (253.24 mM; Need ultrasonic)
• Peso molecular: 394.900 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 10
• Exact Mass: 394.155 Da
• Monoisotopic Mass: 394.155 Da
• Topological Polar Surface Area: 79.200 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 403.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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