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

CAS: 23261-20-3 Cat. No.: V125883 分子式: C₆H₁₀O₄ 分子量: 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

同義語

(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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

CROSS-LINKING AGENT

作用メカニズム

DNA cross-linking agent

純度

≥98%

製品の性質

• ALogP: -1.3

名前と識別子

• パブケム・シド: 504767983
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504767983
• カノニカル・スマイル: 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-
• 異性体SMILES: C1[C@@H](O1)[C@@H]([C@@H]([C@@H]2CO2)O)O
• PubChem CID: 15942827
• 分子量: 146.14

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: 25°C: DMSO
• 分子量: 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