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942999-61-3

942999-61-3 Structure

942999-61-3 Structure
IdentificationBack Directory
[Name]

BICYCLO[2.2.2]OCTANE-1-ACETIC ACID, 4-[4-(4-AMINO-7,7-DIMETHYL-7H-PYRIMIDO[4,5-B][1,4]OXAZIN-6-YL)PHENYL]-
[CAS]

942999-61-3
[Synonyms]

5-b][1
DGAT1-IN-4
4-[4-(4-amino-7
DGAT-1 inhibitor 2
4]oxazin-6-yl)phenyl]-
7-dimethyl-7H-pyrimido[4
Bicyclo[2.2.2]octane-1-acetic acid
4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]Bicyclo[2.2.2]octane-1-acetic acid
BICYCLO[2.2.2]OCTANE-1-ACETIC ACID, 4-[4-(4-AMINO-7,7-DIMETHYL-7H-PYRIMIDO[4,5-B][1,4]OXAZIN-6-YL)PHENYL]-
DGAT-1 INHIBITOR;BICYCLO[2.2.2]OCTANE-1-ACETIC ACID; 4-[4-(4-AMINO-7;7-DIMETHYL-7H-PYRIMIDO[4;5-B][1;4]OXAZIN-6-YL)PHENYL]-
[Molecular Formula]

C24H28N4O3
[MDL Number]

MFCD11977738
[MOL File]

942999-61-3.mol
[Molecular Weight]

420.5
Chemical PropertiesBack Directory
[Boiling point ]

625.1±55.0 °C(Predicted)
[density ]

1.39±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 25 mg/mL (59.45 mM; Need ultrasonic)
[form ]

Powder
[pka]

4.84±0.10(Predicted)
[color ]

Light yellow to yellow
Hazard InformationBack Directory
[Uses]

DGAT-1 inhibitor 2 is an effective inhibitor of DGAT-1;antiobesity agents. IC50 value: Target: DGAT-1 Acyl-CoA:diacylglycerol acyltransferase 1 (DGAT1) is one of two known DGAT enzymes that catalyze the final step in triglyceride synthesis. Findings from genetically modified mice as well as pharmacological studies suggest that inhibition of DGAT1 is a promising strategy for the treatment of obesity and type 2 diabetes.
[References]

[1] Matsuda D, Tomoda H. DGAT inhibitors for obesity. Curr Opin Investig Drugs. 2007 Oct;8(10):836-41. PMID:17907060
[2] Birch, Alan M.; Birtles, Susan; Buckett, Linda K. et al. Discovery of a Potent, Selective, and Orally Efficacious Pyrimidinooxazinyl Bicyclooctaneacetic Acid Diacylglycerol Acyltransferase-1 Inhibitor. Journal of Medicinal Chemistry (2009), 52(6), 1558-15 DOI:10.1021/jm801507v
[3] King AJ, Judd AS, Souers AJ. Inhibitors of diacylglycerol acyltransferase: a review of 2008 patents. Expert Opin Ther Pat. 2010 Jan;20(1):19-29. DOI:10.1517/13543770903499305
[4] Cao J, Zhou Y, Peng H et al. Targeting Acyl-CoA:diacylglycerol acyltransferase 1 (DGAT1) with small molecule inhibitors for the treatment of metabolic diseases. J Biol Chem. 2011 Dec 2;286(48):41838-51. DOI:10.1074/jbc.M111.245456
Spectrum DetailBack Directory
[Spectrum Detail]

BICYCLO[2.2.2]OCTANE-1-ACETIC ACID, 4-[4-(4-AMINO-7,7-DIMETHYL-7H-PYRIMIDO[4,5-B][1,4]OXAZIN-6-YL)PHENYL]-(942999-61-3)1HNMR
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