Treosulfan - Moligand™, ≥98% , CAS No.299-75-2

CAS: 299-75-2 Cat. No.: T413686 分子式: C₆H₁₄O₈S₂ 分子量: 278.30 EC番号: 206-081-0 PubChem CID: 9882105

GRADE & PURITY Moligand™, ≥98%

Synonyms

3-isoquinolinecarboxylic acid, decahydro-6-(phosphonomethyl)-, (3S,4aR,6S,8aR)- | TREOSULFAN [INN] | TREOSULFAN [WHO-DD] | MFCD05662317 | DB11678 | rel-(2S,3S)-2,3-Dihydroxybutane-1,4-diyl dimethanesulfonate | (2S,3S)-2,3-dihydroxy-4-(methanesulfonyloxy)b

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

Information

Treosulfan Treosulfan (NSC 39069, Treosulphan) is an alkylating agent used for conventional and high-dose chemotherapy regimens. Treosulfan is potently cytotoxic against pancreatic cancer cell lines.

Product description

Treosulfan (NSC 39069) is a bifunctional alkylating agent with activity in ovarian cancer and other solid tumor types.

Specifications

同義語

3-isoquinolinecarboxylic acid, decahydro-6-(phosphonomethyl)-, (3S,4aR,6S,8aR)- | TREOSULFAN [INN] | TREOSULFAN [WHO-DD] | MFCD05662317 | DB11678 | rel-(2S,3S)-2,3-Dihydroxybutane-1,4-diyl dimethanesulfonate | (2S,3S)-2,3-dihydroxy-4-(methanesulfonyloxy)b

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

Treosulfan (NSC 39069, Treosulphan) is an alkylating agent used for conventional and high-dose chemotherapy regimens. Treosulfan is potently cytotoxic against pancreatic cancer cell lines.

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。

等級

Moligand™

純度

≥98%

名前と識別子

• パブケム・シド: 488196391
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/488196391
• カノニカル・スマイル: CS(=O)(=O)OCC(C(COS(=O)(=O)C)O)O
• IUPAC Name: [(2S,3S)-2,3-dihydroxy-4-methylsulfonyloxybutyl] methanesulfonate
• InChIKey: YCPOZVAOBBQLRI-WDSKDSINSA-N
• INCHI: 1S/C6H14O8S2/c1-15(9,10)13-3-5(7)6(8)4-14-16(2,11)12/h5-8H,3-4H2,1-2H3/t5-,6-/m0/s1
• 異性体SMILES: CS(=O)(=O)OC[C@@H]([C@H](COS(=O)(=O)C)O)O
• PubChem CID: 9882105
• 分子量: 278.30

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 分類 Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 分類: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acid esters
• Alternative Parents: Sulfonic acid esters Sulfonyls Methanesulfonates Secondary alcohols 1,2-diols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Organosulfonic acid ester - Sulfonic acid ester - Sulfonyl - Methanesulfonate - Secondary alcohol - 1,2-diol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Alcohol - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as organosulfonic acid esters. These are esters of sulfonic acid, which have the general structure RS(=O)2OR' (R,R' = organyl, not H).
• External Descriptors: methanesulfonate ester

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

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作用メカニズム

化学的性質と物理的性質

• 溶解度: Solubility (25°C) In vitro DMSO: 56 mg/mL (201.22 mM); Water: 56 mg/mL (201.22 mM); Ethanol: Insoluble
• 分子量: 278.300 g/mol
• XLogP3: -2.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 278.013 Da
• Monoisotopic Mass: 278.013 Da
• Topological Polar Surface Area: 144.000 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 345.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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