DGAT1-IN-3 - ≥99% , CAS No.939375-07-2

CAS: 939375-07-2 Cat. No.: D647241 Summenformel: C20H19F3N4O3 Molekulargewicht: 420.39 PubChem CID: 16757107
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GRADE & PURITY ≥99%
Storage
Protected from light,Store at -80°C
Shipped In
Dry ice packs + Cold packs
★
Size
Deutschland (EU)
USA*
Price
Qty
5mg
D647241-5mg
Auf Bestellung · 8–12 Wochen
729,68€
10mg
D647241-10mg
Auf Bestellung · 8–12 Wochen
1.215,62€
50mg
D647241-50mg
Auf Bestellung · 8–12 Wochen
3.298,19€
100mg
D647241-100mg
Auf Bestellung · 8–12 Wochen
5.207,21€
Enter a quantity for the sizes you want to add.
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Protected from light,Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Übersicht

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)

Specifications

Spezifikationen & Reinheit
≥99%
Biochemische und physiologische Mechanismen
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.
Storage
Protected from light,Store at -80°C
Verschickt in
Dry ice packs + Cold packs
Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.
Aktionsart
INHIBITOR
Reinheit
≥99%
Namen und Kennungen
Kanonisches Lächeln
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)
Isomere 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
Molekulargewicht
420.39

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
KlasseAzoles
SubclassOxazoles
Intermediate Tree Nodes Not available
Direct ParentPhenyl-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 FrameworkAromatic 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
BeschreibungThis 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
3D-Struktur
Interaktives chemisches Strukturmodell





Zugehörige Ziele (menschlich)
DGAT1 Tclin Diacylglycerol O-acyltransferase 1 (7 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
KCNH2 Tclin HERG (29587 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
DGAT1 Tclin Diacylglycerol O-acyltransferase 1 (1719 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Zugehörige Ziele (nicht menschlich)
Salmonella typhimurium (15756 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cavia porcellus (23802 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Wirkungsmechanismen
Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemische und physikalische Eigenschaften
LöslichkeitDMSO : 100 mg/mL (237.87 mM; Need ultrasonic)
Molekulargewicht420.400 g/mol
XLogP33.300
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass420.141 Da
Monoisotopic Mass420.141 Da
Topological Polar Surface Area80.500 Ų
Heavy Atom Count30
Formal Charge0
Complexity560.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
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