WAY-223535 - 10mM in DMSO , CAS No.136353-11-2

CAS: 136353-11-2 Cat. No.: W421380 Molecular Weight: 286.37 EC Number: 833-893-8 PubChem CID: 3600292

GRADE & PURITY 10mM in DMSO

Synonyms

136353-11-2|8-amino-3-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one|8-amino-3-hydroxy-3,4-dihydro-2H,6H-pyrimido[2,1-b][1,3]thiazin-6-one|8-amino-3-hydroxy-2H,3H,4H,6H-pyrimido[2,1-b][1,3]thiazin-6-one|8-Amino-3-hydroxy-3,4-dihydropyrimido[2,1-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

potent inhibitors against Mycobacterium tuberculosis enoyl acyl carrier protein reductase; InhA direct inhibitors; altering the lifespan of a eukaryotic organism; inhibitors of enoyl acyl carrier protein reductase; inhibitors of InhA,; Inhibitor of Enoyl Acyl Carrier Protein Reductase from Mycobacterium tuberculosis;

Specifications

Synonyms

136353-11-2 | 8-amino-3-hydroxy-3, 4-dihydro-2H-pyrimido[2, 1-b][1, 3]thiazin-6-one | 8-amino-3-hydroxy-3, 4-dihydro-2H, 6H-pyrimido[2, 1-b][1, 3]thiazin-6-one | 8-amino-3-hydroxy-2H, 3H, 4H, 6H-pyrimido[2, 1-b][1, 3]thiazin-6-one | 8-Amino-3-hydroxy-3, 4-dihydropyrimido[2, 1-

Specifications & Purity

10mM in DMSO

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.

Product Properties

• ALogP: 2.167
• HBD Count: 1
• Rotatable Bond: 3

Names and Identifiers

• Canonical Smiles: C1C(CSC2=NC(=CC(=O)N21)N)O
• IUPAC Name: 8-amino-3-hydroxy-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-one
• InChIKey: MCGLJURHMHWZBV-UHFFFAOYSA-N
• INCHI: 1S/C7H9N3O2S/c8-5-1-6(12)10-2-4(11)3-13-7(10)9-5/h1,4,11H,2-3,8H2
• Isomeric SMILES: C1C(CSC2=NC(=CC(=O)N21)N)O
• PubChem CID: 3600292
• Molecular Weight: 286.37

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Class Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Class: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Pyrimidones Aminopyrimidines and derivatives Alkylarylthioethers Imidolactams Vinylogous amides Heteroaromatic compounds Secondary alcohols Lactams Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Aryl thioether - Aminopyrimidine - Pyrimidone - Alkylarylthioether - Pyrimidine - Imidolactam - Heteroaromatic compound - Vinylogous amide - Secondary alcohol - Lactam - Organoheterocyclic compound - Azacycle - Amine - Alcohol - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl 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

Chemical and Physical Properties

• DMSO(mM) Max Solubility: 10
• Molecular Weight: 199.230 g/mol
• XLogP3: -0.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 199.042 Da
• Monoisotopic Mass: 199.042 Da
• Topological Polar Surface Area: 104.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 313.000
• 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