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L-778123 HCl 2mg

CAT: 0628-A15796-2Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0628-A15796-2Size:2 mg
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CAS Number
253863-00-2

Chemical Information

4-((5-((4-(3-Chlorophenyl)-3-oxo-1-piperazinyl)methyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride

L-778,123 hydrochloride is the hydrochloride salt of L-778,123. It is a dual inhibitor of FPTase and GGPTase-I (IC50 of 2nM and 98nm, respectively) and exhibits anti-cancer properties. It has a role as a radiosensitizing agent, an antineoplastic agent, an EC 2.5.1.58 (protein farnesyltransferase) inhibitor and an EC 2.5.1.59 (protein geranylgeranyltransferase type I) inhibitor. It contains a L-778,123 (free base).

CAS Number253863-00-2
PubChem CID216453
IUPAC Name4-[[5-[[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl]imidazol-1-yl]methyl]benzonitrile;hydrochloride
Molecular FormulaC22H21Cl2N5O
Molecular Weight442.3
Topological Polar Surface Area65.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity614
SMILES
C1CN(C(=O)CN1CC2=CN=CN2CC3=CC=C(C=C3)C#N)C4=CC(=CC=C4)Cl.Cl
InChI
InChI=1S/C22H20ClN5O.ClH/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18;/h1-7,10,12,16H,8-9,13-15H2;1H
InChIKey
YNBSQYGTJLIPJS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-((5-((4-(3-Chlorophenyl)-3-oxo-1-piperazinyl)methyl)-1H-imidazol-1-yl)methyl)benzonitrile hydrochloride
CAS: 253863-00-2
CID: 216453
Formula: C22H21Cl2N5O
MW: 442.3
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass441.1123157
Monoisotopic Mass441.1123157
Topological Polar Surface Area65.2 Ų
Heavy Atom Count30
Formal Charge0
Complexity614
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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