(Z)-1-(3-Ethyl-5-methoxy-2,3-dihydrobenzothiazol-2-ylidene)propan-2-one

Base Information

• Chemical Name: (Z)-1-(3-Ethyl-5-methoxy-2,3-dihydrobenzothiazol-2-ylidene)propan-2-one
• CAS No.: 300801-52-9
• Molecular Formula: C13H15 N O2 S
• Molecular Weight: 249.33
• European Community (EC) Number: 636-912-6
• UNII: KPC5K8BPP7
• Nikkaji Number: J2.063.813C
• Wikidata: Q27075810
• Pharos Ligand ID: F1WLF6R2D6G7,QSQLFM15HWPS
• ChEMBL ID: CHEMBL408982
• Mol file: 300801-52-9.mol

Synonyms:TG 003;TG-003;TG003;TG003 cpd

Chemical Property of (Z)-1-(3-Ethyl-5-methoxy-2,3-dihydrobenzothiazol-2-ylidene)propan-2-one

Chemical Property:

• Vapor Pressure: 3.65E-06mmHg at 25°C
• Melting Point: 132-132.5 °C
• Refractive Index: 1.638
• Boiling Point: 386°C at 760 mmHg
• PKA: -1.76±0.20(Predicted)
• Flash Point: 187.2°C
• PSA: 51.63000
• Density: 1.237g/cm³
• LogP: 2.39680
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive
• Solubility.: DMSO: 33 mg/mL
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 249.08234989
• Heavy Atom Count: 17
• Complexity: 329

Purity/Quality:

98%,99%, ^*data from raw suppliers

(1Z)-1-(3-Ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)propan-2-one ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCN1C2=C(C=CC(=C2)OC)SC1=CC(=O)C
• Isomeric SMILES: CCN\1C2=C(C=CC(=C2)OC)S/C1=C\C(=O)C
• Description: Cdc2-like kinase (Clk), among a number of other kinases, phosphorylates serine/arginine-rich proteins which play a role in alternative splicing of pre-mRNA. The Clk family consists of four members, which include Clk1/Sty and Clk2-4. TG003 is a novel benzothiazole compound that demonstrates potent inhibition of Clk1/Sty and Clk4 with IC50 values of 20 and 15 nM, respectively. TG003 exhibits considerably weaker inhibition of Clk2 and Clk3 (IC50 = 200 nM and >10 μM, respectively). Through suppression of Clk-mediated phosphorylation, TG003 inhibits SF2/ASF-dependent splicing of β-globin pre-mRNA at 1 μM in vitro. At 10 μM, TG003 rescues the embryonic defects induced by excessive Clk activity in Xenopus.
• Uses: TG003 has been used in PAC1 cell culture and in vitro kinase assays. TG003 can be used as a potent CDC-2 kinase inhibitor, allowing for research into identification of signaling pathways and possible therapeutic treatments. Cdc2-Like Kinase Inhibitor, TG003 is a benzothiazole agent that acts as a specific and ATP-competitive inhibitor of Clk family members. Reports show that TG003 modifies the regulation of alternative splicing modulated by phosphorylation of SR proteins in vitro, and rescues defects in the development of Xenopus caused by an overabundance of Clk activity.