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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H18F6N4O
Molecular Weight 444.3735
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MK-5046

SMILES

O[C@@](CC1=NC=C(CC2(CC2)C(F)(F)F)N1)(C3=CC=C(C=C3)N4C=CC=N4)C(F)(F)F

InChI

InChIKey=UJINBEQCDMOAHM-SFHVURJKSA-N
InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1

HIDE SMILES / InChI

Description

MK-5046 is an orally active, potent, selective agonist of the orphan G protein-coupled receptor bombesin receptor subtype-3 (BRS-3). In pharmacological testing using diet-induced obese mice, MK-5046 caused mechanism-based, dose-dependent reductions in food intake and body weight.

CNS Activity

CNS Penetrant
2588
Curator's Comment: Known to be CNS penetrant in mice. Human data not available.

Originator

Merck
238
Curator's Comment: # Merck Research Laboratories

Approval Year

Unknown
149124
Targets

Targets

Primary TargetPharmacologyConditionPotency
Agonist
2752
 3.7 nM [Ki]
Conditions

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Preclinical
Unknown

Approved Use

Unknown
PubMed

PubMed

TitleDatePubMed
Antiobesity effect of MK-5046, a novel bombesin receptor subtype-3 agonist.
2011-02
Discovery of MK-5046, a Potent, Selective Bombesin Receptor Subtype-3 Agonist for the Treatment of Obesity.
2011-01-13
Patents

Patents

WO 2008051404 A2
1
WO 2008051406 A2
1

Sample Use Guides

In Vivo Use Guide
In mouse model of obesity, MK-5046 (25 mg/kg/day by sc infusion) caused reductions in body weight (8-9% as compared to vehicle-dosed animals) thatwere sustained for 14 days with no evidence of tachyphylaxis.
Route of Administration: Other
In Vitro Use Guide
Receptor binding was performed using membranes from CHO or HEK293 cells overexpressing the bombesine receptor. A 30 pM concentration of [125I]-[D-Tyr6,β-Ala11,Phe13,Nle14]-bombesin(6-14) (human assay) and 660 pM [3H]Bag-3 (rat and mouse assays) were used. For functional assays, agonist induced mobilization of intracellular Ca2+ was measured HEK293AEQ cells overexpressing BRS-3, using an aequorin bioluminescence assay.
Name Type Language
(2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]-3-(4-{[1-(trifluoromethyl)cyclopropyl]methyl}-1H-imidazol-2-yl)propan-2-ol
Preferred Name English
MK-5046
Common Name English
1H-Imidazole-2-ethanol, ?-[4-(1H-pyrazol-1-yl)phenyl]-?-(trifluoromethyl)-5-[[1-(trifluoromethyl)cyclopropyl]methyl]-, (?S)-
Systematic Name English
Code System Code Type Description
PUBCHEM
49871766
Created by admin on Wed Apr 02 11:13:05 GMT 2025 , Edited by admin on Wed Apr 02 11:13:05 GMT 2025
PRIMARY
CAS
1022152-70-0
Created by admin on Wed Apr 02 11:13:05 GMT 2025 , Edited by admin on Wed Apr 02 11:13:05 GMT 2025
PRIMARY
FDA UNII
QHZ72H8F6P
Created by admin on Wed Apr 02 11:13:05 GMT 2025 , Edited by admin on Wed Apr 02 11:13:05 GMT 2025
PRIMARY
ACTIVE MOIETY
Structure of MK-5046
NIH
NCATS
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