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Pradigastat

CAT: 1410-M32994-03Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M32994-03Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Pradigastat (LCQ-908) is an orally active, potent and selective diacylglycerol acyltransferase 1 (DGAT1) inhibitor for the treatment of constipation, which may be used in the study of obesity and diabetes.
CAS Number
956136-95-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
455.47
Molecular Formula
C25H24F3N3O2
Notes
Research use only, not for human use.
Receptor
Transferase

Chemical Information

Lcq908

Pradigastat has been used in trials studying the treatment of Non-alcoholic Fatty Liver Disease (NAFLD).

CAS Number956136-95-1
PubChem CID53387035
IUPAC Name2-[4-[4-[5-[[6-(trifluoromethyl)-3-pyridinyl]amino]-2-pyridinyl]phenyl]cyclohexyl]acetic acid
Molecular FormulaC25H24F3N3O2
Molecular Weight455.5
XLogP5.7
Topological Polar Surface Area75.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity631
SMILES
C1CC(CCC1CC(=O)O)C2=CC=C(C=C2)C3=NC=C(C=C3)NC4=CN=C(C=C4)C(F)(F)F
InChI
InChI=1S/C25H24F3N3O2/c26-25(27,28)23-12-10-21(15-30-23)31-20-9-11-22(29-14-20)19-7-5-18(6-8-19)17-3-1-16(2-4-17)13-24(32)33/h5-12,14-17,31H,1-4,13H2,(H,32,33)
InChIKey
GXALXAKNHIROPE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lcq908
CAS: 956136-95-1
CID: 53387035
Formula: C25H24F3N3O2
MW: 455.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight455.5
XLogP35.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass455.18206150
Monoisotopic Mass455.18206150
Topological Polar Surface Area75.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity631
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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A12475-10Pradigastat 10mg
A12475-2Pradigastat 2mg

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