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Merck
CN

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

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About This Item

Empirical Formula (Hill Notation):
C33H41ClN6O2
CAS Number:
312637-48-2
Molecular Weight:
589.17
UNSPSC Code:
12352200
NACRES:
NA.77
MDL number:
MFCD09970598

Key Documents

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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

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 key

HLCHESOMJVGDSJ-LOYHVIPDSA-N

assay

≥98% (HPLC)

form

powder

color

white to beige

solubility

DMSO: 2 mg/mL, clear

storage temp.

2-8°C

Related Categories

Biochem/physiol Actions

Tetrahydroisoquinoline melanocortin-4 receptor (MC4R) agonist
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.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
0000069360
0000069359
0000063571

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