1,3-Propanedisulfonic acid disodium salt - 10mM in Water , CAS No.36589-58-9

CAS: 36589-58-9 Cat. No.: P423641 Peso molecular: 248.17 Beilstein Registry Number: 4(4)79 Número EC: 621-789-3

GRADE & PURITY 10mM in Water

Synonyms

Eprodisate disodium|36589-58-9|Kiacta|NC-503|Disodium propane-1,3-disulfonate|Eprodisate sodium|1,3-Propanedisulfonic acid disodium salt|1,3-Propanedisulfonic acid, disodium salt|Eprodisate Disodium [USAN]|Eprodisate (disodium)|UNII-5X0D9H16IU|NC 503|5X0D

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Descripción general

It is the orally available disodium salt form of Eprodisate, a negatively charged sulfonated inhibitor of fibrillogenesis, that can be used in the treatment of amyloid A (AA) amyloidosis.
Reactant involved in synthesis of: . Cadmium(II) bipyridine complex metal-organic frameworks with alkanedisulfonates . Alkylenedisulfonate inorganic-organic hybrid materials Glycosaminoglycan mimetic involved in pharmacological studies for the treatment of amyloid A amyloidosis

Specifications

Sinónimos

Eprodisate disodium | 36589-58-9 | Kiacta | NC-503 | Disodium propane-1, 3-disulfonate | Eprodisate sodium | 1, 3-Propanedisulfonic acid disodium salt | 1, 3-Propanedisulfonic acid, disodium salt | Eprodisate Disodium [USAN] | Eprodisate (disodium) | UNII-5X0D9H16IU | NC 503 | 5X0D

Especificaciones y pureza

10mM in Water

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

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Nombres e identificadores

• Sonrisas canónicas: C(CS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;propane-1,3-disulfonate
• InChIKey: DKGJFKPIUSHDIT-UHFFFAOYSA-L
• INCHI: 1S/C3H8O6S2.2Na/c4-10(5,6)2-1-3-11(7,8)9;;/h1-3H2,(H,4,5,6)(H,7,8,9);;/q;2*+1/p-2
• Isómeros SMILES: C(CS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+]
• Peso molecular: 248.17
• Beilstein: 4(4)79
• Reaxy-Rn: 3767479
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3767479&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Organic sulfonic acids and derivatives
• Subclass: Organosulfonic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Organosulfonic acids
• Alternative Parents: Sulfonyls Alkanesulfonic acids Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alkanesulfonic acid - Sulfonyl - Organosulfonic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - Organic salt - Organosulfur compound - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as organosulfonic acids. These are compounds containing the sulfonic acid group, which has the general structure RS(=O)2OH (R is not a hydrogen atom).
• 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)

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)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Punto de fusión (°C): 300℃
• Peso molecular: 248.200 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 247.94 Da
• Monoisotopic Mass: 247.94 Da
• Topological Polar Surface Area: 131.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 227.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 3

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