SML2449

THIQ

≥98% (HPLC)

• Synonym(s): (3R)-N-[(1R)-1-[(4-chlorophenyl)methyl]-2-[4-cyclohexyl-4-(1H-1,2,4-triazol-1-ylmethyl)-1-piperidinyl]-2-oxoethyl]-1,2,3,4-tetrahydro-3-isoquinolinecarboxamide, (3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-cyclo-hexyl-4-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
• Empirical Formula (Hill Notation): C₃₃H₄₁ClN₆O₂
• CAS Number: 312637-48-2
• Molecular Weight: 589.17
• UNSPSC Code: 12352200
• NACRES: NA.77
• MDL number: MFCD09970598
• Assay: ≥98% (HPLC)
• Form: powder

Properties

• assay: ≥98% (HPLC)
• form: powder
• color: white to beige
• solubility: DMSO: 2 mg/mL, clear
• storage temp.: 2-8°C
• SMILES string: O=C(N1CCC(CN2N=CN=C2)(C3CCCCC3)CC1)[C@@H](CC4=CC=C(Cl)C=C4)NC([C@@H]5NCC6=CC=CC=C6C5)=O
• InChI: 1S/C33H41ClN6O2/c34-28-12-10-24(11-13-28)18-30(38-31(41)29-19-25-6-4-5-7-26(25)20-36-29)32(42)39-16-14-33(15-17-39,21-40-23-35-22-37-40)27-8-2-1-3-9-27/h4-7,10-13,22-23,27,29-30,36H,1-3,8-9,14-21H2,(H,38,41)/t29-,30-/m1/s1
• InChI key: HLCHESOMJVGDSJ-LOYHVIPDSA-N

Description

Biochem/physiol Actions

THIQ is a selective tetrahydroisoquinoline melanocortin-4 receptor (MC4R) agonist. It exhibited an IC50 vaue of 1.2 nM in MC4R human receptors expressed in CHO cells compared values of 2067, 761 and 326 nM for MC1R, MC3R, and MC5R receptors, respectively.

Tetrahydroisoquinoline melanocortin-4 receptor (MC4R) agonist

Safety Information

• Storage Class: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point (°F): Not applicable
• Flash Point (°C): Not applicable