RETRA - ≥98% , CAS No.1036069-26-7

CAS: 1036069-26-7 Cat. No.: R344313 Peso molecular: 269.34 PubChem CID: 46861546

GRADE & PURITY ≥98%

Synonyms

2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone;hydrochloride | J-001007 | RETRA, >=98% (HPLC), solid | 2-[(4,5-Dihydro-2-thiazolyl)thio]-1-(3,4-dihydroxyphenyl)ethanone hydrochloride | RETRA hydrochloride | 2-[(4,5-Dihydro-1,3-th

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

This is a mutant p53-dependent activator of p73, an activator of p53-regulated genes, and a suppressor of mutant p53-bearing tumor cells. Greater than 50% of tumors express mutant p53 which is defective for the tumor-suppressor function and contributes to malignancy by blocking a p53 family member p73. Activation of p73 in human cancer produces a cytotoxic effect. RETRA increases the expression level of p73 and releases p73 from the inhibitory complex with mutant 53. This then produces a tumor-supressor effect, in vitro and in vivo.

Specifications

Sinónimos

2-(4, 5-dihydro-1, 3-thiazol-2-ylsulfanyl)-1-(3, 4-dihydroxyphenyl)ethanone;hydrochloride | J-001007 | RETRA, >=98% (HPLC), solid | 2-[(4, 5-Dihydro-2-thiazolyl)thio]-1-(3, 4-dihydroxyphenyl)ethanone hydrochloride | RETRA hydrochloride | 2-[(4, 5-Dihydro-1, 3-th

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

• Pubchem Sid: 488201385
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201385
• Sonrisas canónicas: C1CSC(=N1)SCC(=O)C2=CC(=C(C=C2)O)O.Cl
• IUPAC Name: 2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-(3,4-dihydroxyphenyl)ethanone;hydrochloride
• InChIKey: ZZAVDVMJZKDBIB-UHFFFAOYSA-N
• INCHI: 1S/C11H11NO3S2.ClH/c13-8-2-1-7(5-9(8)14)10(15)6-17-11-12-3-4-16-11;/h1-2,5,13-14H,3-4,6H2;1H
• Isómeros SMILES: C1CSC(=N1)SCC(=O)C2=CC(=C(C=C2)O)O.Cl
• WGK Alemania: 3
• PubChem CID: 46861546
• Número ONU: 2811
• Grupo de embalaje: III
• Peso molecular: 269.34

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Catechols Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Thiazolines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Catechol - Aryl alkyl ketone - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Monocyclic benzene moiety - Benzenoid - Meta-thiazoline - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Organic nitrogen compound - Hydrochloride - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and 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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO (100 mM).
• Índice de refracción: n20D~1.71 (Predicted)
• Peso molecular: 305.800 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 304.995 Da
• Monoisotopic Mass: 304.995 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 322.000
• 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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