AZD7687 - Moligand™, ≥98% , Inhibitor of diacylglycerol O-acyltransferase 1, CAS No.1166827-44-6, Inhibitor of diacylglycerol O-acyltransferase 1

CAS: 1166827-44-6 Cat. No.: A128057 Molecular Weight: 367.44 EC Number: 682-438-8

GRADE & PURITY Moligand™, ≥98%

Synonyms

AZD7687 | AZD-7687 | DB14949 | 2-[4-[4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl]cyclohexyl]acetic acid | SCHEMBL5532381 | AZD 7687 | GTPL7827 | AKOS030526281 | 6QTJ9P2NYT | AZD 7687 [WHO-DD] | EN300-16131 | NCGC00378858-01 | SCHEMBL2252415 | 1166827-4

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AZD7687 | AZD-7687 | DB14949 | 2-[4-[4-(6-carbamoyl-3, 5-dimethylpyrazin-2-yl)phenyl]cyclohexyl]acetic acid | SCHEMBL5532381 | AZD 7687 | GTPL7827 | AKOS030526281 | 6QTJ9P2NYT | AZD 7687 [WHO-DD] | EN300-16131 | NCGC00378858-01 | SCHEMBL2252415 | 1166827-4

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

The attenuating effect of AZD7687, the selective DGAT1 inhibitor, on postprandial triacylglycerol (TAG) excursion provides proof of mechanism with respect to gut DGAT1 inhibition. Nausea, vomiting and diarrhoea were reported with increasi

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of diacylglycerol O-acyltransferase 1

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=C(N=C(C(=N1)C)C(=O)N)C2=CC=C(C=C2)C3CCC(CC3)CC(=O)O
• IUPAC Name: 2-[4-[4-(6-carbamoyl-3,5-dimethylpyrazin-2-yl)phenyl]cyclohexyl]acetic acid
• InChIKey: YXFNPRHZMOGREC-UHFFFAOYSA-N
• INCHI: 1S/C21H25N3O3/c1-12-19(24-20(21(22)27)13(2)23-12)17-9-7-16(8-10-17)15-5-3-14(4-6-15)11-18(25)26/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,27)(H,25,26)
• Isomeric SMILES: CC1=C(N=C(C(=N1)C)C(=O)N)C2=CC=C(C=C2)C3CCC(CC3)CC(=O)O
• Molecular Weight: 367.44
• Reaxy-Rn: 35562638
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=35562638&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazines
      • Subclass Pyrazines
        • Level5 Pyrazine carboxylic acids and derivatives
          • Level6 Pyrazinecarboxamides

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazines
• Subclass: Pyrazines
• Intermediate Tree Nodes: Pyrazine carboxylic acids and derivatives
• Direct Parent: Pyrazinecarboxamides
• Alternative Parents: 2-heteroaryl carboxamides Benzene and substituted derivatives Heteroaromatic compounds Primary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyrazinecarboxamide - 2-heteroaryl carboxamide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Carboxamide group - Primary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrazinecarboxamides. These are compounds containing a pyrazine ring which bears a carboxamide.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

DGAT1 Tclin Diacylglycerol O-acyltransferase 1 (5 Activities)

Discover Target: DGAT1

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Chemical and Physical Properties

• Solubility: DMSO
• Molecular Weight: 367.400 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 367.19 Da
• Monoisotopic Mass: 367.19 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 525.000
• 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