RRD-251 hydrochloride - ≥98% , CAS No.72214-67-6

CAS: 72214-67-6 Cat. No.: R338914 Peso molecular: 271.59 Número EC: 635-681-9 PubChem CID: 12526767

GRADE & PURITY ≥98%

Synonyms

2,4-dichlorobenzyl imidothiocarbamate hydrochloride | (2,4-Dichlorophenyl)carbamimidothioic acid methyl ester hydrochloride | 2-(2,4-Dichlorobenzyl)-2-thiopseudourea hydrochloride | Rb/Raf-1 disruptor 251 hydrochloride | S-(2,4-Dichlorobenzyl)-isothiouron

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

RRD-251 hydrochloride is a reversible, potent, and selective disruptor of Rb/Raf-1 interaction. The retinoblastoma tumor suppressor protein (Rb) controls the G1-S boundary by repressing the transcriptional activity of the E2F family of transcription factors. Raf-1 kinase binds and phosphorylates Rb early in the G1 phase. RRD-251 significantly inhibits angiogenesis and tumor growth in vivo in an Rb-dependent manner. RRD-251 does not inhibit the binding of B-Raf to Rb and Raf-1 to Mek1/2. Also, RRD-251 does not affect the kinase activities associated with cyclin D, cyclin E, or Raf-1.

Specifications

Sinónimos

2, 4-dichlorobenzyl imidothiocarbamate hydrochloride | (2, 4-Dichlorophenyl)carbamimidothioic acid methyl ester hydrochloride | 2-(2, 4-Dichlorobenzyl)-2-thiopseudourea hydrochloride | Rb/Raf-1 disruptor 251 hydrochloride | S-(2, 4-Dichlorobenzyl)-isothiouron

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1=CC(=C(C=C1Cl)Cl)CSC(=N)N.Cl
• IUPAC Name: (2,4-dichlorophenyl)methyl carbamimidothioate;hydrochloride
• InChIKey: COMNQRICZGJVLE-UHFFFAOYSA-N
• INCHI: 1S/C8H8Cl2N2S.ClH/c9-6-2-1-5(7(10)3-6)4-13-8(11)12;/h1-3H,4H2,(H3,11,12);1H
• Isómeros SMILES: C1=CC(=C(C=C1Cl)Cl)CSC(=N)N.Cl
• PubChem CID: 12526767
• Peso molecular: 271.59

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Halobenzenes
        • Level5 Chlorobenzenes
          • Level6 Dichlorobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Halobenzenes
• Intermediate Tree Nodes: Chlorobenzenes
• Direct Parent: Dichlorobenzenes
• Alternative Parents: Aryl chlorides Isothioureas Sulfenyl compounds Carboximidamides Organochlorides Imines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: 1,3-dichlorobenzene - Aryl halide - Aryl chloride - Isothiourea - Sulfenyl compound - Carboximidamide - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Imine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as dichlorobenzenes. These are compounds containing a benzene with exactly two chlorine atoms attached to it.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO: >10 mg/mL and Water: >2 mg/mL
• Sensibilidad: Moisture sensitive
• Peso molecular: 271.600 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 269.955 Da
• Monoisotopic Mass: 269.955 Da
• Topological Polar Surface Area: 75.200 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 189.000
• 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: 2

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