SKLB1002 - ≥98% , CAS No.1225451-84-2

CAS: 1225451-84-2 Cat. No.: S347904 分子式: C₁₃H₁₂N₄O₂S₂ 分子量: 320.39 EC番号: 808-410-9 PubChem CID: 71461003

GRADE & PURITY ≥98%

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 -20°C

Shipped In

Ice chest + Ice pads

Specifications

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥98%

名前と識別子

• パブケム・シド: 504772118
• パブケム・シド・ウル: https://pubchem.ncbi.nlm.nih.gov/substance/504772118
• カノニカル・スマイル: 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
• 異性体SMILES: CC1=NN=C(S1)SC2=NC=NC3=CC(=C(C=C32)OC)OC
• PubChem CID: 71461003
• 分子量: 320.39

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

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

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Danio rerio (3092 Activities)

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作用メカニズム

化学的性質と物理的性質

• 溶解度: insoluble in H2O; ≥5 mg/mL in EtOH with gentle warming and ultrasonic; ≥8 mg/mL in DMSO
• 融点（°C）: 193 °C
• 分子量: 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