Thiazovivin - ≥99% , CAS No.1226056-71-8

CAS: 1226056-71-8 Cat. No.: T126478 Molecular Weight: 311.36 EC Number: 808-340-9

GRADE & PURITY ≥99%

Synonyms

HB3240 | s1459 | C15H13N5OS | CCG-267592 | J-004834 | NCGC00187983-10 | Thiazovivin (GMP) | 1226056-71-8 | HY-13257G | SCHEMBL669856 | MLS006011152 | MFCD16495823 | SMR004702926 | AC-28391 | 4-THIAZOLECARBOXAMIDE, N-(PHENYLMETHYL)-2-(4-PYRIMIDINYLAMINO)-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Thiazovivin is a new type of ROCK inhibitor with an IC50 of 0.5 μM in a cell-free assay, which promotes the survival of human embryonic stem cells (hESC) after single cell isolation.

Specifications

Synonyms

HB3240 | s1459 | C15H13N5OS | CCG-267592 | J-004834 | NCGC00187983-10 | Thiazovivin (GMP) | 1226056-71-8 | HY-13257G | SCHEMBL669856 | MLS006011152 | MFCD16495823 | SMR004702926 | AC-28391 | 4-THIAZOLECARBOXAMIDE, N-(PHENYLMETHYL)-2-(4-PYRIMIDINYLAMINO)-

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

Thiazovivin is a compound which dramatically improves the survival of hESCs upon trypsinization. In combination with ALK5 (TGFβ receptor) inhibitor SB-431542 and MEK inhibitor PD-0325901, thiazovivin promotes the transformation of fibroblasts into st

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.

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

≥99%

Names and Identifiers

• Pubchem Sid: 504770684
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770684
• Canonical Smiles: C1=CC=C(C=C1)CNC(=O)C2=CSC(=N2)NC3=NC=NC=C3
• IUPAC Name: N-benzyl-2-(pyrimidin-4-ylamino)-1,3-thiazole-4-carboxamide
• InChIKey: DOBKQCZBPPCLEG-UHFFFAOYSA-N
• INCHI: 1S/C15H13N5OS/c21-14(17-8-11-4-2-1-3-5-11)12-9-22-15(19-12)20-13-6-7-16-10-18-13/h1-7,9-10H,8H2,(H,17,21)(H,16,18,19,20)
• Isomeric SMILES: C1=CC=C(C=C1)CNC(=O)C2=CSC(=N2)NC3=NC=NC=C3
• WGK Germany: 3
• Molecular Weight: 311.36

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: 2-heteroaryl carboxamides Aminopyrimidines and derivatives 2,4-disubstituted thiazoles Imidolactams Benzene and substituted derivatives 2-amino-1,3-thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Secondary amines Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-heteroaryl carboxamide - Thiazolecarboxamide - 2,4-disubstituted 1,3-thiazole - Aminopyrimidine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - 1,3-thiazol-2-amine - Imidolactam - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary amine - Carboxylic acid derivative - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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(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: DMSO 15 mg/mL Water <1 mg/mL Ethanol <1 mg/mL
• Molecular Weight: 311.400 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 311.084 Da
• Monoisotopic Mass: 311.084 Da
• Topological Polar Surface Area: 108.000 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 364.000
• 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