Products for Research Use Only

PF-02575799

CAT: 0013-GTR19204179-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204179-02Size:50 mg
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Description
PF-02575799 is a potent and selective small molecule inhibitor of microsomal triglyceride transfer protein (MTP), exhibiting an IC50 of 0.77±0.29 nM. This compound is a valuable research tool for investigating lipid metabolism, enabling in vitro and in vivo studies related to dyslipidemia and atherosclerosis.
CAS Number
863491-70-7
Field of Research
Metabolism Research, Neuroscience, Pharmacology & Drug Discovery, Protein Biochemistry
Smiles
C (NC1=NC2=C (C=C1) C=C (C (N[C@H] (C (N (CC3=CC=C (F) C=C3) C) =O) C4=CC=CC=C4) =O) C=C2) (=O) C5=C (C=CC=C5) C6=CC=C (OC (C) C) C=C6
Molecular Formula
C42H37FN4O4
Molecular Weight
680.77
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PF-02575799

a microsomal triglyceride transfer protein inhibitor; structure in first source

CAS Number863491-70-7
PubChem CID24999167
IUPAC NameN-[(1S)-2-[(4-fluorophenyl)methyl-methylamino]-2-oxo-1-phenylethyl]-2-[[2-(4-propan-2-yloxyphenyl)benzoyl]amino]quinoline-6-carboxamide
Molecular FormulaC42H37FN4O4
Molecular Weight680.8
XLogP7.9
Topological Polar Surface Area101
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Heavy Atom Count51
Formal Charge0
Complexity1130
SMILES
CC(C)OC1=CC=C(C=C1)C2=CC=CC=C2C(=O)NC3=NC4=C(C=C3)C=C(C=C4)C(=O)N[C@@H](C5=CC=CC=C5)C(=O)N(C)CC6=CC=C(C=C6)F
InChI
InChI=1S/C42H37FN4O4/c1-27(2)51-34-21-15-29(16-22-34)35-11-7-8-12-36(35)41(49)45-38-24-18-31-25-32(17-23-37(31)44-38)40(48)46-39(30-9-5-4-6-10-30)42(50)47(3)26-28-13-19-33(43)20-14-28/h4-25,27,39H,26H2,1-3H3,(H,46,48)(H,44,45,49)/t39-/m0/s1
InChIKey
HMTLPJFACYNTHS-KDXMTYKHSA-N
Chemical Structure
2D Structure
2D structure of PF-02575799
CAS: 863491-70-7
CID: 24999167
Formula: C42H37FN4O4
MW: 680.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight680.8
XLogP37.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count11
Exact Mass680.27988384
Monoisotopic Mass680.27988384
Topological Polar Surface Area101 Ų
Heavy Atom Count51
Formal Charge0
Complexity1130
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes