UNC 3230 - ≥98% , CAS No.1031602-63-7

CAS: 1031602-63-7 Cat. No.: U288599 Molecular Weight: 344.43 PubChem CID: 46355372

GRADE & PURITY ≥98%

Synonyms

UNC3230 | 5-(cyclohexanecarboxamido)-2-(phenylamino)thiazole-4-carboxamide | 5-[(Cyclohexylcarbonyl)amino]-2-(phenylamino)-thiazolecarboxamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

UNC3230 | 5-(cyclohexanecarboxamido)-2-(phenylamino)thiazole-4-carboxamide | 5-[(Cyclohexylcarbonyl)amino]-2-(phenylamino)-thiazolecarboxamide

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Potent and selective PIP5K1C inhibitor (IC50= 41 nM). Exhibits selectivity for PIP5K1C over PIP5K1A, the PI 3-kinase family and a panel of other kinases. Reduces PIP2levels and LPA-induced calcium signaling in dorsal root ganglia (DRG) neuronsin vitro. Re

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.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CCC(CC1)C(=O)NC2=C(N=C(S2)NC3=CC=CC=C3)C(=O)N
• IUPAC Name: 2-anilino-5-(cyclohexanecarbonylamino)-1,3-thiazole-4-carboxamide
• InChIKey: RZCNASHHHSKTGP-UHFFFAOYSA-N
• INCHI: 1S/C17H20N4O2S/c18-14(22)13-16(21-15(23)11-7-3-1-4-8-11)24-17(20-13)19-12-9-5-2-6-10-12/h2,5-6,9-11H,1,3-4,7-8H2,(H2,18,22)(H,19,20)(H,21,23)
• Isomeric SMILES: C1CCC(CC1)C(=O)NC2=C(N=C(S2)NC3=CC=CC=C3)C(=O)N
• PubChem CID: 46355372
• Molecular Weight: 344.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azoles
      • Subclass Thiazoles
        • Level5 Thiazolecarboxylic acids and derivatives
          • Level6 Thiazolecarboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azoles
• Subclass: Thiazoles
• Intermediate Tree Nodes: Thiazolecarboxylic acids and derivatives
• Direct Parent: Thiazolecarboxamides
• Alternative Parents: N-arylamides Aniline and substituted anilines 2-heteroaryl carboxamides 2,4,5-trisubstituted thiazoles 2-amino-1,3-thiazoles Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Primary carboxylic acid amides Amino acids and derivatives Secondary amines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-heteroaryl carboxamide - 2,4,5-trisubstituted 1,3-thiazole - Thiazolecarboxamide - N-arylamide - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - 1,3-thiazol-2-amine - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Primary carboxylic acid amide - Secondary carboxylic acid amide - Secondary amine - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as thiazolecarboxamides. These are heterocyclic compounds containing a thiazole ring which bears a carboxylic acid amide group.
• 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)

PIP5K1C Tchem Phosphatidylinositol-4-phosphate 5-kinase type-1 gamma (331 Activities)

Discover Target: PIP5K1C

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

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

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

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 34.44, Max Conc. mM: 100
• Molecular Weight: 344.400 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 344.131 Da
• Monoisotopic Mass: 344.131 Da
• Topological Polar Surface Area: 125.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 450.000
• 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: 1