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Implitapide Racemate

CAT: 0931-T10504-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T10504-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
177277-99-5
Target
Others, MTP, MTP
Related Pathways
Proteases/Proteasome, Others, Metabolism
Bioactivity
Implitapide Racemate, the racemate of Implitapide, is an inhibitor of microsomal triglyceride transfer protein (MTP) .
Smiles
C(N1C=2C(C=3C1=CC=CC3)=C(C)C=C(C)N2)C4=CC(C(C(NC(CO)C5=CC=CC=C5)=O)C6CCCC6)=CC=C4
Molecular Formula
C35H37N3O2
Molecular Weight
531.69
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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...
View on PubChemRaw 3D data
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

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