VAL-083 - ≥98% , DNA cross-linking agent, CAS No.23261-20-3, DNA cross-linking agent

CAS: 23261-20-3 Cat. No.: V125883 Fórmula: C₆H₁₀O₄ Peso molecular: 146.14 PubChem CID: 15942827

GRADE & PURITY ≥98%

Synonyms

(1R,2S)-1-((R)-oxiran-2-yl)-2-((S)-oxiran-2-yl)ethane-1,2-diol | MS-22831 | (1S,2R)-1-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]ethane-1,2-diol | AKOS040742808 | Q27260414 | D10623 | DIANHYDROGALACTITOL [WHO-DD] | Dulcitol diepoxide | DTXSID90878831 | J-0150

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

(1R,2S)-1-((R)-oxiran-2-yl)-2-((S)-oxiran-2-yl)ethane-1,2-diol | MS-22831 | (1S,2R)-1-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]ethane-1,2-diol | AKOS040742808 | Q27260414 | D10623 | DIANHYDROGALACTITOL [WHO-DD] | Dulcitol diepoxide | DTXSID90878831 | J-0150

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Description: IC50 Value: 5uM (inhibit U251, SF188, T98G cell growth in monolayer after 72h) VAL-083 surpasses temozolomide (TMZ) activity and inhibits cancer stem cells (CSCs) providing a new potential treatment option for glioblastoma mu

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Tipo de ação

CROSS-LINKING AGENT

Mecanismo de ação

DNA cross-linking agent

Pureza

≥98%

Propriedades do produto

• ALogP: -1.3

Nomes e identificadores

• Pubchem Sid: 504767983
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767983
• Sorrisos canónicos: C1C(O1)C(C(C2CO2)O)O
• IUPAC Name: (1S,2R)-1-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]ethane-1,2-diol
• InChIKey: AAFJXZWCNVJTMK-GUCUJZIJSA-N
• INCHI: 1S/C6H10O4/c7-5(3-1-9-3)6(8)4-2-10-4/h3-8H,1-2H2/t3-,4+,5+,6-
• SMILES isoméricas: C1[C@@H](O1)[C@@H]([C@@H]([C@@H]2CO2)O)O
• PubChem CID: 15942827
• Peso molecular: 146.14

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Alcohols and polyols
        • Level5 Polyols
          • Level6 1,2-diols

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Alcohols and polyols
• Intermediate Tree Nodes: Polyols
• Direct Parent: 1,2-diols
• Alternative Parents: Secondary alcohols Oxacyclic compounds Epoxides Dialkyl ethers Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Secondary alcohol - 1,2-diol - Oxacycle - Organoheterocyclic compound - Ether - Oxirane - Dialkyl ether - Hydrocarbon derivative - Aliphatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.
• 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

Alvos associados (não humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: 25°C: DMSO
• Peso molecular: 146.140 g/mol
• XLogP3: -1.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 146.058 Da
• Monoisotopic Mass: 146.058 Da
• Topological Polar Surface Area: 65.500 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 122.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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