RETRA - ≥98% , CAS No.1036069-26-7

CAS: 1036069-26-7 Cat. No.: R344313 Molecular Weight: 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

Overview

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

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488201385
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488201385
• Canonical Smiles: 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
• Isomeric SMILES: C1CSC(=N1)SCC(=O)C2=CC(=C(C=C2)O)O.Cl
• WGK Germany: 3
• PubChem CID: 46861546
• UN Number: 2811
• Packing Group: III
• Molecular Weight: 269.34

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in DMSO (100 mM).
• Refractive Index: n20D~1.71 (Predicted)
• Molecular Weight: 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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