Timonacic - 10mM in Water , CAS No.444-27-9

CAS: 444-27-9 Cat. No.: T424020 Molecular Weight: 133.17 EC Number: 207-146-6 PubChem CID: 9934

GRADE & PURITY 10mM in Water

Synonyms

D08601 | EINECS 207-146-6 | NSC25855 | NSC-25855 | SCHEMBL8356 | Z104495996 | 4-Thiazolidinecarboxylic acid, (.+/-.)- | HY-B1169 | Tiazolidin | TIMONACIC [MART.] | FT-0639201 | Thiazolidine-4-carboxylicacid | EN300-21404 | Hepalidine | Norgamen | TIMONACI

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Timonacic is used as an adjuvant in the treatment of acute and hepatic disorders. It has also been used for the treatment of some cases of cancer, through the induction of the reverse transformation.

Specifications

Synonyms

D08601 | EINECS 207-146-6 | NSC25855 | NSC-25855 | SCHEMBL8356 | Z104495996 | 4-Thiazolidinecarboxylic acid, (.+/-.)- | HY-B1169 | Tiazolidin | TIMONACIC [MART.] | FT-0639201 | Thiazolidine-4-carboxylicacid | EN300-21404 | Hepalidine | Norgamen | TIMONACI

Specifications & Purity

10mM in Water

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Names and Identifiers

• Pubchem Sid: 528767506
• Canonical Smiles: C1C(NCS1)C(=O)O
• IUPAC Name: 1,3-thiazolidine-4-carboxylic acid
• InChIKey: DZLNHFMRPBPULJ-UHFFFAOYSA-N
• INCHI: 1S/C4H7NO2S/c6-4(7)3-1-8-2-5-3/h3,5H,1-2H2,(H,6,7)
• Isomeric SMILES: C1C(NCS1)C(=O)O
• PubChem CID: 9934
• Molecular Weight: 133.17

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives
• Direct Parent: Alpha amino acids and derivatives
• Alternative Parents: Thiazolidines Amino acids Thiohemiaminal derivatives Monocarboxylic acids and derivatives Dialkylthioethers Dialkylamines Carboxylic acids Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Alpha-amino acid or derivatives - Thiazolidine - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Thioether - Hemithioaminal - Dialkylthioether - Organoheterocyclic compound - Azacycle - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxide - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acids and derivatives. These are amino acids in which the amino group is attached to the carbon atom immediately adjacent to the carboxylate group (alpha carbon), or a derivative thereof.
• External Descriptors: a small molecule

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(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mus musculus (284745 Activities)

Explore this target

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

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

• Molecular Weight: 133.170 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 133.02 Da
• Monoisotopic Mass: 133.02 Da
• Topological Polar Surface Area: 74.600 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 106.000
• 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