Fondaparinux sódico - Moligand™, ≥98% , Antithrombin-III activator, CAS No.114870-03-0, Antithrombin-III activator

CAS: 114870-03-0 Cat. No.: F302246 Peso molecular: 1728.08 Número EC: 686-283-7 PubChem CID: 636380

GRADE & PURITY Moligand™, ≥98%

Synonyms

FONDAPARINUX SODIUM [JAN] | GSK-576428 | IC-851589 | X0Q6N9USOZ | fondaparinux sodique | Xantidar | decasodium 6-[6-[2-carboxylato-4-hydroxy-6-[4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfonatooxy-tetrahydro

Storage

Almacenar a -20°C,cargado con argón

Shipped In

Hielera + almohadillas de hielo

Descripción general

El fondaparinux sódico es un inhibidor del factor Xa dependiente de la antitrombina.

Specifications

Sinónimos

FONDAPARINUX SODIUM [JAN] | GSK-576428 | IC-851589 | X0Q6N9USOZ | fondaparinux sodique | Xantidar | decasodium 6-[6-[2-carboxylato-4-hydroxy-6-[4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)tetrahydropyran-3-yl]oxy-5-sulfonatooxy-tetrahydro

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

El fondaparinux sódico es un anticoagulante antitrombótico, un inhibidor del Factor Xa. El fondaparinux sódico está químicamente relacionado con las heparinas de bajo peso molecular. Su estructura pentasacárida corresponde al sitio de unión de la antitrom

Condiciones de almacenamiento de almacenamiento

Almacenar a -20°C, cargado con argón

Enviado en

Hielera + almohadillas de hielo

Grado

Moligand™

Tipo de acción

ACTIVATOR

Mecanismo de acción

Antithrombin-III activator

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504759610
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759610
• Sonrisas canónicas: COC1C(C(C(C(O1)COS(=O)(=O)[O-])OC2C(C(C(C(O2)C(=O)[O-])OC3C(C(C(C(O3)COS(=O)(=O)[O-])OC4C(C(C(C(O4)C(=O)[O-])OC5C(C(C(C(O5)COS(=O)(=O)[O-])O)O)NS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-])NS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• IUPAC Name: decasodium;(2S,3S,4R,5R,6R)-6-[(2R,3R,4R,5R,6R)-6-[(2R,3S,4S,5R,6R)-2-carboxylato-4-hydroxy-6-[(2R,3S,4R,5R,6S)-4-hydroxy-6-methoxy-5-(sulfonatoamino)-2-(sulfonatooxymethyl)oxan-3-yl]oxy-5-sulfonatooxyoxan-3-yl]oxy-5-(sulfonatoamino)-4-sulfonatooxy-2-(sulfonatooxymethyl)oxan-3-yl]oxy-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-3-(sulfonatoamino)-6-(sulfonatooxymethyl)oxan-2-yl]oxy-4,5-dihydroxyoxane-2-carboxylate
• InChIKey: XEKSTYNIJLDDAZ-JASSWCPGSA-D
• INCHI: 1S/C31H53N3O49S8.10Na/c1-69-27-9(33-85(48,49)50)13(37)17(6(74-27)3-71-88(57,58)59)76-31-22(83-91(66,67)68)16(40)21(24(81-31)26(43)44)79-29-10(34-86(51,52)53)19(82-90(63,64)65)18(7(75-29)4-72-89(60,61)62)77-30-15(39)14(38)20(23(80-30)25(41)42)78-28-8(32-84(45,46)47)12(36)11(35)5(73-28)2-70-87(54,55)56;;;;;;;;;;/h5-24,27-40H,2-4H2,1H3,(H,41,42)(H,43,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68);;;;;;;;;;/q;10*+1/p-10/t5-,6-,7-,8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-,19-,20+,21+,22-,23+,24-,27+,28-,29-,30-,31-;;;;;;;;;;/m1........../s1
• Isómeros SMILES: CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)[O-])O[C@H]2[C@@H]([C@H]([C@@H]([C@@H](O2)C(=O)[O-])O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)COS(=O)(=O)[O-])O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)C(=O)[O-])O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COS(=O)(=O)[O-])O)O)NS(=O)(=O)[O-])O)O)OS(=O)(=O)[O-])NS(=O)(=O)[O-])O)OS(=O)(=O)[O-])O)NS(=O)(=O)[O-].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• PubChem CID: 636380
• Peso molecular: 1728.08

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Oligosaccharides
          • Level6 Oligosaccharide sulfates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Oligosaccharides
• Direct Parent: Oligosaccharide sulfates
• Alternative Parents: Fatty acyl glycosides O-glucuronides O-glycosyl compounds Alkyl sulfates Dicarboxylic acids and derivatives Sulfuric acid monoesters Sulfuric acid monoamides Oxanes Pyrans Secondary alcohols Carboxylic acid salts Oxacyclic compounds Carboxylic acids Acetals Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic sodium salts Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oligosaccharide sulfate - Fatty acyl glycoside - 1-o-glucuronide - O-glucuronide - Glucuronic acid or derivatives - Glycosyl compound - O-glycosyl compound - Dicarboxylic acid or derivatives - Sulfuric acid monoamide - Oxane - Pyran - Sulfuric acid monoester - Sulfate-ester - Alkyl sulfate - Sulfuric acid ester - Fatty acyl - Organic sulfuric acid or derivatives - Carboxylic acid salt - Secondary alcohol - Organoheterocyclic compound - Acetal - Carboxylic acid - Carboxylic acid derivative - Oxacycle - Organic alkali metal salt - Organopnictogen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Hydrocarbon derivative - Organic salt - Organic sodium salt - Alcohol - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oligosaccharide sulfates. These are carbohydrates containing between 3 and 9 sugar units, one of which bear one or more sulfate groups.
• 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

Objetivos asociados (humanos)

SERPINC1 Tclin Antithrombin-III (1 Activities)

Discover Target: SERPINC1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

F10 Tclin Coagulation factor X (9693 Activities)

Discover Target: F10

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Homo sapiens (32628 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasma (328 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Peso molecular: 1728.100 g/mol
• Hydrogen Bond Donor Count: 9
• Hydrogen Bond Acceptor Count: 52
• Rotatable Bond Count: 20
• Exact Mass: 1726.77 Da
• Monoisotopic Mass: 1726.77 Da
• Topological Polar Surface Area: 901.000 Ų
• Heavy Atom Count: 101
• Formal Charge: 0
• Complexity: 3330.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 25
• 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: 11

XLogP3