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

CAS: 1225451-84-2 Cat. No.: S420968 Formula: C₁₃H₁₂N₄O₂S₂ Peso molecolare: 320.39 Numero EC: 808-410-9 PubChem CID: 71461003

GRADE & PURITY 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

Specifications

Sinonimi

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

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: CC1=NN=C(S1)SC2=NC=NC3=CC(=C(C=C32)OC)OC
• PubChem CID: 71461003
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (umani)

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

HUVEC (11049 Activities)

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

SW-620 (52400 Activities)

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

Obiettivi associati (non umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di fusione (°C): 193 °C
• Peso molecolare: 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