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Tipifarnib (S enantiomer)

CAT: 0931-T17102-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T17102-01Size:1 mg
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CAS Number
192185-71-0
Target
Transferase
Related Pathways
Metabolism
Purity
0.992
Bioactivity
Tipifarnib S enantiomer ((S) - (-) -R-115777) is the S-enantiomer of Tipifarnib. Tipifarnib is a potent and specific farnesyltransferase inhibitor (IC50: 0.6 nM) .
Smiles
Cn1cncc1[C@](N)(c1ccc(Cl)cc1)c1ccc2n(C)c(=O)cc(-c3cccc(Cl)c3)c2c1
Molecular Formula
C27H22Cl2N4O
Molecular Weight
489.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Tipifarnib S enantiomer

6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4-imidazolyl)methyl]-4-(3-chlorophenyl)-1-methyl-2-quinolinone is a diarylheptanoid.

CAS Number192185-71-0
PubChem CID9935249
IUPAC Name6-[(S)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
Molecular FormulaC27H22Cl2N4O
Molecular Weight489.4
XLogP4.1
Topological Polar Surface Area64.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count34
Formal Charge0
Complexity785
SMILES
CN1C=NC=C1[C@](C2=CC=C(C=C2)Cl)(C3=CC4=C(C=C3)N(C(=O)C=C4C5=CC(=CC=C5)Cl)C)N
InChI
InChI=1S/C27H22Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-16H,30H2,1-2H3/t27-/m0/s1
InChIKey
PLHJCIYEEKOWNM-MHZLTWQESA-N
Chemical Structure
2D Structure
2D structure of Tipifarnib S enantiomer
CAS: 192185-71-0
CID: 9935249
Formula: C27H22Cl2N4O
MW: 489.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight489.4
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass488.1170667
Monoisotopic Mass488.1170667
Topological Polar Surface Area64.2 Ų
Heavy Atom Count34
Formal Charge0
Complexity785
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

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