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BTI-A-404

CAT: 0013-GTR19197982-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197982-02Size:50 mg
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Description
BTI-A-404 is a potent, selective, and competitive inverse agonist targeting the human GPR43 receptor. This small molecule is a valuable research tool for investigating GPR43 function in metabolic and inflammatory diseases, with utility in both in vitro and in vivo experimental models.
CAS Number
537679-57-5
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
CN (C) C1=CC=C (C=C1) C1NC (=O) NC (C) =C1C (=O) NC1=CC (C) =CC (C) =C1
Molecular Formula
C22H26N4O2
Molecular Weight
378.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-(4-(dimethylamino)phenyl)-N-(3,5-dimethylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CAS Number537679-57-5
PubChem CID2952084
IUPAC Name4-[4-(dimethylamino)phenyl]-N-(3,5-dimethylphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
Molecular FormulaC22H26N4O2
Molecular Weight378.5
XLogP2.8
Topological Polar Surface Area73.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity612
SMILES
CC1=CC(=CC(=C1)NC(=O)C2=C(NC(=O)NC2C3=CC=C(C=C3)N(C)C)C)C
InChI
InChI=1S/C22H26N4O2/c1-13-10-14(2)12-17(11-13)24-21(27)19-15(3)23-22(28)25-20(19)16-6-8-18(9-7-16)26(4)5/h6-12,20H,1-5H3,(H,24,27)(H2,23,25,28)
InChIKey
JQVNMIXFWKEYQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(4-(dimethylamino)phenyl)-N-(3,5-dimethylphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxamide
CAS: 537679-57-5
CID: 2952084
Formula: C22H26N4O2
MW: 378.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight378.5
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass378.20557608
Monoisotopic Mass378.20557608
Topological Polar Surface Area73.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity612
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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