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

CAS: 136353-11-2 Cat. No.: W421380 Fórmula: C₁₇H₂₂N₂O₂ Peso molecular: 286.37 Número CE: 833-893-8 PubChem CID: 3600292

GRAU & PUREZA 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

Visão geral

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;

Especificações

Sinónimos

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-

Especificações e pureza

10mM in DMSO

Condições de armazenamento de armazenamento

Store at -80°C

Enviado em

Dry ice packs + Cold packs

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Propriedades do produto

ALogP

2.167

Contagem HBD

1

Ligação rotativa

3

Nomes e identificadores

Sorrisos canónicos

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

SMILES isoméricas

C1C(CSC2=NC(=CC(=O)N21)N)O

PubChem CID

3600292

Peso molecular

286.37

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: 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
• Descrição: 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

Propriedades químicas e físicas

• DMSO (mM) Solubilidade máxima: 10
• Peso molecular: 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

Perguntas frequentes

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 136353-11-2, the molecular formula is C17H22N2O2, and the molecular weight is 286.37 g/mol. InChIKey MCGLJURHMHWZBV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.