WAY-325065 - 10mM in DMSO , CAS No.689762-76-3

CAS: 689762-76-3 Cat. No.: W425534 Fórmula: C₁₆H₁₇N₇S Peso molecular: 339.41808 PubChem CID: 899174

GRAU & PUREZA 10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Visão geral

altering the lifespan of a eukaryotic organism; Mycobacterium tuberculosis shikimate kinase (MtSk) inhibitor;

Especificações

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

3.315

Contagem HBD

2

Ligação rotativa

5

Nomes e identificadores

Sorrisos canónicos

CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N)CSC3=NC=CC(=N3)C

IUPAC Name

2-N-(3-methylphenyl)-6-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

InChIKey

AYJVDGUGUZMEES-UHFFFAOYSA-N

INCHI

1S/C16H17N7S/c1-10-4-3-5-12(8-10)20-15-22-13(21-14(17)23-15)9-24-16-18-7-6-11(2)19-16/h3-8H,9H2,1-2H3,(H3,17,20,21,22,23)

SMILES isoméricas

CC1=CC(=CC=C1)NC2=NC(=NC(=N2)N)CSC3=NC=CC(=N3)C

PubChem CID

899174

Peso molecular

339.41808

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Triazines
      • Subclass Aminotriazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Triazines
• Subclass: Aminotriazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,5-triazine-2,4-diamines
• Alternative Parents: Aniline and substituted anilines Toluenes Alkylarylthioethers Pyrimidines and pyrimidine derivatives 1,3,5-triazines Heteroaromatic compounds Sulfenyl compounds Secondary amines Azacyclic compounds Primary amines Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,4-diamine-s-triazine - Aryl thioether - Aniline or substituted anilines - Toluene - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - 1,3,5-triazine - Heteroaromatic compound - Sulfenyl compound - Thioether - Secondary amine - Azacycle - Amine - Hydrocarbon derivative - Organopnictogen compound - Primary amine - Organosulfur compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 1,3,5-triazine-2,4-diamines. These are aromatic compounds containing a 1,3,5-triazine ring which is 2,4-disusbtituted wit amine groups.
• 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

Alvos associados (humanos)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

RECQL Tbio ATP-dependent DNA helicase Q1 (5575 Activities)

Discover Target: RECQL

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

microRNA 21 (64692 Activities)

Explore this target

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Alvos associados (não humanos)

ampC Beta-lactamase AmpC (62480 Activities)

Discover Target: ampC

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• DMSO (mM) Solubilidade máxima: 10
• Peso molecular: 339.400 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 339.127 Da
• Monoisotopic Mass: 339.127 Da
• Topological Polar Surface Area: 128.000 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 385.000
• 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

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 689762-76-3, the molecular formula is C16H17N7S, and the molecular weight is 339.41808 g/mol. InChIKey AYJVDGUGUZMEES-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.