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Implitapide (Racemate)

CAT: 0804-HY-U00329Size: 1 EachDry Ice: NoHazardous: No
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Description
Implitapide Racemate is the racemate of Implitapide. Implitapide is a microsomal triglyceride transfer protein (MTP) inhibitor.
CAS Number
177277-99-5
UNSPSC
12352005
Target
Microsomal Triglyceride Transfer Protein (MTP)
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease; Cardiovascular Disease
Assay Protocol
https://www.medchemexpress.com/Benzeneacetamide,__alpha_-cyclopentyl-3-[_2,4-dimethyl-9H-pyrido[2,3-b]indol-9-yl_methyl]-N-_2-hydroxy-1-phenylethyl_-.html
Solubility
10 mM in DMSO
Smiles
O=C(NC(C1=CC=CC=C1)CO)C(C2CCCC2)C3=CC=CC(CN4C5=NC(C)=CC(C)=C5C6=C4C=CC=C6)=C3
Molecular Formula
C35H37N3O2
Molecular Weight
531.69
References & Citations
[1]Mueller, Dr. Ulrich, et al. Cycloalkano-indole- and -azaindole derivatives. EP705831A2.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Implitapide Racemate
CAS Number177277-99-5
PubChem CID73945175
IUPAC Name2-cyclopentyl-2-[3-[(2,4-dimethylpyrido[2,3-b]indol-9-yl)methyl]phenyl]-N-(2-hydroxy-1-phenylethyl)acetamide
Molecular FormulaC35H37N3O2
Molecular Weight531.7
XLogP7.3
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Heavy Atom Count40
Formal Charge0
Complexity823
SMILES
CC1=CC(=NC2=C1C3=CC=CC=C3N2CC4=CC(=CC=C4)C(C5CCCC5)C(=O)NC(CO)C6=CC=CC=C6)C
InChI
InChI=1S/C35H37N3O2/c1-23-19-24(2)36-34-32(23)29-17-8-9-18-31(29)38(34)21-25-11-10-16-28(20-25)33(27-14-6-7-15-27)35(40)37-30(22-39)26-12-4-3-5-13-26/h3-5,8-13,16-20,27,30,33,39H,6-7,14-15,21-22H2,1-2H3,(H,37,40)
InChIKey
AMNXBQPRODZJQR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Implitapide Racemate
CAS: 177277-99-5
CID: 73945175
Formula: C35H37N3O2
MW: 531.7
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight531.7
XLogP37.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count8
Exact Mass531.28857743
Monoisotopic Mass531.28857743
Topological Polar Surface Area67.2 Ų
Heavy Atom Count40
Formal Charge0
Complexity823
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes