Odiparcil - ≥99% , Glycosaminoglycans modulator, CAS No.137215-12-4, Glycosaminoglycans modulator

CAS: 137215-12-4 Cat. No.: O647599 Fórmula: C₁₅H₁₆O₆S Peso molecular: 324.35 PubChem CID: 216385

GRADE & PURITY ≥99%

Synonyms

NCGC00253734-01 | DB06609 | Q27278001 | SCHEMBL4515803 | 4-methyl-7-[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one | AKOS000271618 | AKOS040742327 | JRHNIQQUVJOPQC-AQNFWKISSA-N | UNII-FIK1414ZI8 | Odiparcil | 4-METHYL-7-(5-THIO-.BETA.-D-XYLOPY

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Odiparcil (SB-424323) is an orally active beta-d-thioxyloside analog with antithrombotic activity associated with a reduced risk of adverse bleeding events. Odiparcil (SB-424323) is indirect thrombin inhibitor that exerts its anticoagulant effect through activation of antithrombin II (heparin cofactor II)

Form:Solid

IC50& Target:Thrombin

Specifications

Sinónimos

NCGC00253734-01 | DB06609 | Q27278001 | SCHEMBL4515803 | 4-methyl-7-[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one | AKOS000271618 | AKOS040742327 | JRHNIQQUVJOPQC-AQNFWKISSA-N | UNII-FIK1414ZI8 | Odiparcil | 4-METHYL-7-(5-THIO-.BETA.-D-XYLOPY

Especificações e pureza

≥99%

Mecanismos bioquímicos e fisiológicos

Odiparcil (SB-424323) is an orally active beta-d-thioxyloside analog with antithrombotic activity associated with a reduced risk of adverse bleeding events. Odiparcil (SB-424323) is indirect thrombin inhibitor that exerts its anticoagulant effect through

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

MODULATOR

Mecanismo de ação

Glycosaminoglycans modulator

Pureza

≥99%

Propriedades do produto

• ALogP: 0.1

Nomes e identificadores

• Sorrisos canónicos: CC1=CC(=O)OC2=C1C=CC(=C2)OC3C(C(C(CS3)O)O)O
• IUPAC Name: 4-methyl-7-[(2R,3R,4S,5S)-3,4,5-trihydroxythian-2-yl]oxychromen-2-one
• InChIKey: JRHNIQQUVJOPQC-AQNFWKISSA-N
• INCHI: 1S/C15H16O6S/c1-7-4-12(17)21-11-5-8(2-3-9(7)11)20-15-14(19)13(18)10(16)6-22-15/h2-5,10,13-16,18-19H,6H2,1H3/t10-,13+,14-,15-/m1/s1
• SMILES isoméricas: CC1=CC(=O)OC2=C1C=CC(=C2)O[C@H]3[C@@H]([C@H]([C@@H](CS3)O)O)O
• CAS alternativo: 137215-12-4
• PubChem CID: 216385
• Termos de entrada MeSH: odiparcil
• Peso molecular: 324.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Coumarins and derivatives

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Coumarins and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Coumarins and derivatives
• Alternative Parents: 1-benzopyrans Pyranones and derivatives Thianes Benzenoids Monothioacetals Heteroaromatic compounds Secondary alcohols Lactones Polyols Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Coumarin - Benzopyran - 1-benzopyran - Pyranone - Pyran - Benzenoid - Thiane - Monothioacetal - Heteroaromatic compound - Lactone - Secondary alcohol - Oxacycle - Polyol - Organoheterocyclic compound - Organooxygen compound - Hydrocarbon derivative - Alcohol - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as coumarins and derivatives. These are polycyclic aromatic compounds containing a 1-benzopyran moiety with a ketone group at the C2 carbon atom (1-benzopyran-2-one).
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: DMSO : 100 mg/mL (308.31 mM; Need ultrasonic)
• Peso molecular: 324.400 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 324.067 Da
• Monoisotopic Mass: 324.067 Da
• Topological Polar Surface Area: 122.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 467.000
• 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