SKLB1002 - 10mM in DMSO , CAS No.1225451-84-2

CAS: 1225451-84-2 Cat. No.: S420968 Fórmula: C₁₃H₁₂N₄O₂S₂ Peso molecular: 320.39 Número CE: 808-410-9 PubChem CID: 71461003

GRAU & PUREZA 10mM in DMSO

Synonyms

2-((6,7-Dimethoxyquinazolin-4-yl)thio)-5-methyl-1,3,4-thiadiazole | 6,7-dimethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinazoline | A891099 | SKLB1002 | SKLB-1002 | 1225451-84-2 | 2-(6,7-dimethoxyquinazolin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Especificações

Sinónimos

2-((6,7-Dimethoxyquinazolin-4-yl)thio)-5-methyl-1,3,4-thiadiazole | 6,7-dimethoxy-4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]quinazoline | A891099 | SKLB1002 | SKLB-1002 | 1225451-84-2 | 2-(6,7-dimethoxyquinazolin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole

Especificações e pureza

10mM in DMSO

Mecanismos bioquímicos e fisiológicos

SKLB1002 is a cell permeable and potent VEGFR2 inhibitor that potently inhibits HUVEC cells proliferation, migration, invasion, and tube formation. It appears that SKLB1002 inhibits VEGF-induced phosphorylation of VEGFR2 kinase and the downstream protein

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.

Nomes e identificadores

Sorrisos canónicos

CC1=NN=C(S1)SC2=NC=NC3=CC(=C(C=C32)OC)OC

IUPAC Name

2-(6,7-dimethoxyquinazolin-4-yl)sulfanyl-5-methyl-1,3,4-thiadiazole

InChIKey

RQVGFDBMONQTBC-UHFFFAOYSA-N

INCHI

1S/C13H12N4O2S2/c1-7-16-17-13(20-7)21-12-8-4-10(18-2)11(19-3)5-9(8)14-6-15-12/h4-6H,1-3H3

SMILES isoméricas

CC1=NN=C(S1)SC2=NC=NC3=CC(=C(C=C32)OC)OC

PubChem CID

71461003

Peso molecular

320.39

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: Diarylthioethers
• Alternative Parents: Quinazolines Anisoles Alkyl aryl ethers Pyrimidines and pyrimidine derivatives Thiadiazoles Heteroaromatic compounds Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Diarylthioether - Quinazoline - Anisole - Phenol ether - Alkyl aryl ether - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Ether - Azacycle - Organoheterocyclic compound - Sulfenyl compound - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as diarylthioethers. These are organosulfur compounds containing a thioether group that is substituted by two aryl 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)

KDR Tclin Vascular endothelial growth factor receptor 2 (20924 Activities)

Discover Target: KDR

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

HepG2 (196354 Activities)

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HUVEC (11049 Activities)

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SW-620 (52400 Activities)

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Alvos associados (não humanos)

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

Danio rerio (3092 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Ponto de fusão (°C): 193 °C
• Peso molecular: 320.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 4
• Exact Mass: 320.04 Da
• Monoisotopic Mass: 320.04 Da
• Topological Polar Surface Area: 124.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 352.000
• 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