≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Protected from light,Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
DGAT1-IN-3 is a potent, selective and orally bioavailable inhibitor of DGAT-1 , with IC 50 s of 38 nM for human DGAT-1 and 120 nM for rat DGAT-1 . DGAT1-IN-3 could be used to research of obesity, dyslipidemia, and metabolic syndrome
In Vitro
DGAT1-IN-3 blocks the human ether-a-go-go-related gene (hERG) encoded potassium channel with an IC 20 of 0.2 μM. DGAT1-IN-3 inhibits human DGAT-1 in CHOK1 cells with an EC 50 of 0.66 μM. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
DGAT1-IN-3 (5-50 mg/kg; p.o once daily for three weeks) reduces weight gain and plasma triglycerides, and improves lipid profile. DGAT1-IN-3 (50 mg/kg; p.o) exhibits good oral bioavailability (77%) and the maximum exposure level in plasma (C max ) is 24 μM. DGAT1-IN-3 (5 mg/kg; i.v) exhibits terminal elimination half-lives (1.95 h) and low clearance (13.5 mL/min/kg). MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Three-month-old male Sprague Dawley DIO rats (fed with a high-fat diet)Dosage: 0, 5, 25, 50 mg/kg; once daily for three weeks Administration: P.o. administration Result: Reduced cumulative body weight gain in a dose-dependent manner and was well tolerated in rats. Animal Model: Male Wistar ratsDosage: 50 mg/kg for p.o. and 5 mg/kg for i.v. (Pharmacokinetic Analysis) Administration: P.o. and i.v. administration Result: C max (24 μM); T 1/2 (1.95 h).
Form:Solid
IC50& Target:IC50: 38 nM (human DGAT-1),120 nM (rat DGAT-1)
| Canonical Smiles | CN(CCOC)C1=NC=C(C=C1)NC(=O)C2=C(OC(=N2)C3=CC=CC=C3)C(F)(F)F |
|---|---|
| IUPAC Name | N-[6-[2-methoxyethyl(methyl)amino]pyridin-3-yl]-2-phenyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide |
| InChIKey | QEZWDFXCTTZZRI-UHFFFAOYSA-N |
| INCHI | 1S/C20H19F3N4O3/c1-27(10-11-29-2)15-9-8-14(12-24-15)25-18(28)16-17(20(21,22)23)30-19(26-16)13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3,(H,25,28) |
| Isomeric SMILES | CN(CCOC)C1=NC=C(C=C1)NC(=O)C2=C(OC(=N2)C3=CC=CC=C3)C(F)(F)F |
| PubChem CID | 16757107 |
| Molecular Weight | 420.39 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organoheterocyclic compounds |
| Class | Azoles |
| Subclass | Oxazoles |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Phenyl-1,3-oxazoles |
| Alternative Parents | Dialkylarylamines 2-heteroaryl carboxamides 2,4,5-trisubstituted oxazoles Aminopyridines and derivatives Imidolactams Benzene and substituted derivatives Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Phenyl-1,3-oxazole - 2-heteroaryl carboxamide - 2,4,5-trisubstituted 1,3-oxazole - Dialkylarylamine - Aminopyridine - Monocyclic benzene moiety - Pyridine - Imidolactam - Benzenoid - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group. |
| External Descriptors | Not available |
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| Solubility | DMSO : 100 mg/mL (237.87 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 420.400 g/mol |
| XLogP3 | 3.300 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 9 |
| Rotatable Bond Count | 7 |
| Exact Mass | 420.141 Da |
| Monoisotopic Mass | 420.141 Da |
| Topological Polar Surface Area | 80.500 Ų |
| Heavy Atom Count | 30 |
| Formal Charge | 0 |
| Complexity | 560.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
