2-Guanidinoethylmercaptosuccinic acid (GEMSA) - ≥97% , CAS No.77482-44-1

CAS: 77482-44-1 Cat. No.: G274649 Molecular Weight: 235.26 PubChem CID: 3464

GRADE & PURITY ≥97%

Synonyms

gemsa | BDBM50296412 | SCHEMBL1765999 | 2-GUANIDINOETHYLMERCAPTOSUCCINIC ACID | guanidinoethylmercaptosuccinic acid | GUANIDINOETHYLMERCAPTO-SUCCINIC ACID | Butanedioic acid,2-[[2-[(aminoiminomethyl)amino]ethyl]thio]- | 2-[2-(diaminomethylideneamino)ethyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

gemsa | BDBM50296412 | SCHEMBL1765999 | 2-GUANIDINOETHYLMERCAPTOSUCCINIC ACID | guanidinoethylmercaptosuccinic acid | GUANIDINOETHYLMERCAPTO-SUCCINIC ACID | Butanedioic acid, 2-[[2-[(aminoiminomethyl)amino]ethyl]thio]- | 2-[2-(diaminomethylideneamino)ethyl

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Competitive carboxypeptidase B2 (TAFIa) inhibitor. Shows complex fibrinolytic effects prolonging or shortening fibrinolysis.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: C(CSC(CC(=O)O)C(=O)O)N=C(N)N
• IUPAC Name: 2-[2-(diaminomethylideneamino)ethylsulfanyl]butanedioic acid
• InChIKey: VKVCLXDFOQQABP-UHFFFAOYSA-N
• INCHI: 1S/C7H13N3O4S/c8-7(9)10-1-2-15-4(6(13)14)3-5(11)12/h4H,1-3H2,(H,11,12)(H,13,14)(H4,8,9,10)
• Isomeric SMILES: C(CSC(CC(=O)O)C(=O)O)N=C(N)N
• PubChem CID: 3464
• Molecular Weight: 235.26

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Thia fatty acids
• Alternative Parents: Dicarboxylic acids and derivatives Guanidines Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Dialkylthioethers Carboxylic acids Carboximidamides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Thia fatty acid - Dicarboxylic acid or derivatives - Guanidine - Carboxylic acid derivative - Carboxylic acid - Thioether - Carboximidamide - Sulfenyl compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Dialkylthioether - Organopnictogen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as thia fatty acids. These are fatty acid derivatives obtained by insertion of a sulfur atom at specific positions in the chain.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water to 50 mM
• Molecular Weight: 235.260 g/mol
• XLogP3: -1.500
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 235.063 Da
• Monoisotopic Mass: 235.063 Da
• Topological Polar Surface Area: 164.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 265.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1