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

Descripción general

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

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y 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

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

MODULATOR

Mecanismo de acción

Glycosaminoglycans modulator

Pureza

≥99%

Propiedades del producto

• ALogP: 0.1

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros SMILES: 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
• Términos de entrada MeSH: odiparcil
• Peso molecular: 324.35

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: 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
• Descripción: 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 acción

Propiedades químicas y físicas

• Solubilidad: 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