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DGAT1-IN-1

CAT: 0957-E7724-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-E7724-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1449779-49-0
Additionnal Information
DGAT1-IN-1 is a potent DGAT1 inhibitor with IC50 of < 10 nM (cell lysate from Hep3B cells overexpressing human DGAT1) .IC50 value: < 10 nMTarget: DGAT1 inhibitorImidazopyridine and imidazothiazole compounds as inhibitors of diacylglycerol o-acyltransferase type 1 enzyme and their preparationBy Kim, Dooseop; Bok, Juhan; Shin, Sunmi From PCT Int. Appl. (2013), WO 2013119040 A1 20130815.
Storage Conditions
3 years-20°C powder 2 years-80°C in solvent

Chemical Information

Dgat1-IN-1
CAS Number1449779-49-0
PubChem CID71696573
IUPAC Name2-[4-[4-[2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]imidazo[1,2-a]pyridin-6-yl]phenyl]cyclohexyl]acetic acid
Molecular FormulaC30H28F3N3O4
Molecular Weight551.6
XLogP7.4
Topological Polar Surface Area92.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity850
SMILES
C1CC(CCC1CC(=O)O)C2=CC=C(C=C2)C3=CN4C=C(N=C4C=C3)C(=O)NCC5=CC=C(C=C5)OC(F)(F)F
InChI
InChI=1S/C30H28F3N3O4/c31-30(32,33)40-25-12-3-20(4-13-25)16-34-29(39)26-18-36-17-24(11-14-27(36)35-26)23-9-7-22(8-10-23)21-5-1-19(2-6-21)15-28(37)38/h3-4,7-14,17-19,21H,1-2,5-6,15-16H2,(H,34,39)(H,37,38)
InChIKey
KFGSQOIWOCDWAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Dgat1-IN-1
CAS: 1449779-49-0
CID: 71696573
Formula: C30H28F3N3O4
MW: 551.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight551.6
XLogP37.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count8
Exact Mass551.20319087
Monoisotopic Mass551.20319087
Topological Polar Surface Area92.9 Ų
Heavy Atom Count40
Formal Charge0
Complexity850
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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