GRADE & PURITY ≥97%(T)

Synonyms

SCHEMBL293813 | DTXCID7026732 | EPRODISATE DISODIUM [WHO-DD] | NSC-240395 | Sodium propane-1,3-disulfonate | Disodium propane-1,3-disulfonate | Eprodisate Disodium [USAN] | 1,3-PDS | CAS-36589-58-9 | DISODIUM EPRODISATE | disodium;propane-1,3-disulfonate

Storage

Room temperature

Shipped In

Normal

Overview

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

Synonyms

SCHEMBL293813 | DTXCID7026732 | EPRODISATE DISODIUM [WHO-DD] | NSC-240395 | Sodium propane-1, 3-disulfonate | Disodium propane-1, 3-disulfonate | Eprodisate Disodium [USAN] | 1, 3-PDS | CAS-36589-58-9 | DISODIUM EPRODISATE | disodium;propane-1, 3-disulfonate

Specifications & Purity

≥97%(T)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(T)

Names and Identifiers

• Pubchem Sid: 504764211
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764211
• Canonical Smiles: 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
• Isomeric SMILES: C(CS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+]
• Molecular Weight: 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
    • Class Organic sulfonic acids and derivatives
      • Subclass Organosulfonic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: 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
• Description: 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

Associated Targets(Human)

Homo sapiens (32628 Activities)

Explore this target

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

Associated Targets(non-human)

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 300℃
• Molecular Weight: 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

XLogP3