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FTI-2153

CAT: 0931-T15353-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T15353-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
344900-92-1
Target
Others, Transferase
Related Pathways
Others, Metabolism
Bioactivity
FTI-2153 is a potent and highly selective farnesyltransferase (FTase) inhibitor (IC50: 1.4 nM) that is over 3000-fold more effective at blocking H-Ras (IC50: 10 nM) than Rap1A processing.
Smiles
COC(=O)[C@H](CCSC)NC(=O)c1ccc(CNCc2cnc[nH]2)cc1-c1ccccc1C
Molecular Formula
C25H30N4O3S
Molecular Weight
466.6
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

methyl (2S)-2-[[4-[(1H-imidazol-5-ylmethylamino)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate
CAS Number344900-92-1
PubChem CID6918458
IUPAC Namemethyl (2S)-2-[[4-[(1H-imidazol-5-ylmethylamino)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate
Molecular FormulaC25H30N4O3S
Molecular Weight466.6
XLogP3.2
Topological Polar Surface Area121
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count33
Formal Charge0
Complexity622
SMILES
CC1=CC=CC=C1C2=C(C=CC(=C2)CNCC3=CN=CN3)C(=O)N[C@@H](CCSC)C(=O)OC
InChI
InChI=1S/C25H30N4O3S/c1-17-6-4-5-7-20(17)22-12-18(13-26-14-19-15-27-16-28-19)8-9-21(22)24(30)29-23(10-11-33-3)25(31)32-2/h4-9,12,15-16,23,26H,10-11,13-14H2,1-3H3,(H,27,28)(H,29,30)/t23-/m0/s1
InChIKey
KZCMMZOLCBZLNG-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of methyl (2S)-2-[[4-[(1H-imidazol-5-ylmethylamino)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoate
CAS: 344900-92-1
CID: 6918458
Formula: C25H30N4O3S
MW: 466.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight466.6
XLogP33.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass466.20386201
Monoisotopic Mass466.20386201
Topological Polar Surface Area121 Ų
Heavy Atom Count33
Formal Charge0
Complexity622
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