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

CAS: 23261-20-3 Cat. No.: V125883 Formula: C₆H₁₀O₄ Molecular Weight: 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

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

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

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

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Action Type

CROSS-LINKING AGENT

Mechanism of action

DNA cross-linking agent

Purity

≥98%

Product Properties

• alogp: -1.3

Names and Identifiers

• Pubchem Sid: 504767983
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504767983
• Canonical Smiles: 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-
• Isomeric SMILES: C1[C@@H](O1)[C@@H]([C@@H]([C@@H]2CO2)O)O
• PubChem CID: 15942827
• Molecular Weight: 146.14

Taxonomic Classification

Taxonomy Tree

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

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

Associated Targets(non-human)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: 25°C: DMSO
• Molecular Weight: 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