3-Amino-N-(4-chlorobenzyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
[CAS# 633283-39-3]

Identification

• Name: 3-Amino-N-(4-chlorobenzyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
• Synonyms: [633283-39-3]; 3-Amino-N-(4-chlorobenzyl)-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide 2,2,2-trifluoroacetate; 3-AMINO-N-[ METHYL]-4,6-DIMETHYLTHIENO[2,3-B]PYRIDINE-2-CARBOXAMIDE
• Molecular Formula: C₁₇H₁₆ClN₃OS
• Molecular Weight: 345.85
• CAS Registry Number: 633283-39-3
• SMILES: CC1=CC(=NC2=C1C(=C(S2)C(=O)NCC3=CC=C(C=C3)Cl)N)C
• InChI: 1S/C17H16ClN3OS/c1-9-7-10(2)21-17-13(9)14(19)15(23-17)16(22)20-8-11-3-5-12(18)6-4-11/h3-7H,8,19H2,1-2H3,(H,20,22)
• InChIKey: FPRULFHDSFKYBV-UHFFFAOYSA-N

Properties

• Density: 1.4±0.1g/cm³ (Cal.)
• Boiling point: 593.3±50.0°C at 760 mmHg (Cal.)
• Flash point: 312.6±30.1°C (Cal.)
• Refractive index: 1.693 (Cal.)
• solubility: Soluble to 100 mM in DMSO and to 10 mM in ethanol

References

• (1): Shirey et al.. An allosteric potentiator suggests a role for M4 mAChR in modulating excitatory hippocampal synaptic transmission, Nature Chemical Biology, 2007