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FTI-2148 diTFA

CAT: 0013-GTR19229753-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19229753-02Size:50 mg
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Description
FTI-2148 diTFA is a potent dual inhibitor of farnesyltransferase (FT-1, IC50=1.4 nM) and geranylgeranyltransferase-1 (GGT-1, IC50=1.7 μM), functioning as a RAS C-terminal mimetic. This compound is a valuable research tool for studying RAS-related signaling pathways and prenylation inhibition in both cellular and biochemical assays.
CAS Number
817586-01-9
Field of Research
Metabolism Research
Smiles
OC (=O) C (F) (F) F.CSCC[C@H] (NC (=O) c1ccc (CNCc2cnc[nH]2) cc1-c1ccccc1C) C (O) =O
Molecular Formula
C26H29F3N4O5S
Molecular Weight
566.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

FTI-2148 diTFA
CAS Number817586-01-9
PubChem CID168011754
IUPAC Name(2S)-2-[[4-[(1H-imidazol-5-ylmethylamino)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid;2,2,2-trifluoroacetic acid
Molecular FormulaC26H29F3N4O5S
Molecular Weight566.6
Topological Polar Surface Area170
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count39
Formal Charge0
Complexity691
SMILES
CC1=CC=CC=C1C2=C(C=CC(=C2)CNCC3=CN=CN3)C(=O)N[C@@H](CCSC)C(=O)O.C(=O)(C(F)(F)F)O
InChI
InChI=1S/C24H28N4O3S.C2HF3O2/c1-16-5-3-4-6-19(16)21-11-17(12-25-13-18-14-26-15-27-18)7-8-20(21)23(29)28-22(24(30)31)9-10-32-2;3-2(4,5)1(6)7/h3-8,11,14-15,22,25H,9-10,12-13H2,1-2H3,(H,26,27)(H,28,29)(H,30,31);(H,6,7)/t22-;/m0./s1
InChIKey
ZCCUFUPJNUTGJM-FTBISJDPSA-N
Chemical Structure
2D Structure
2D structure of FTI-2148 diTFA
CAS: 817586-01-9
CID: 168011754
Formula: C26H29F3N4O5S
MW: 566.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight566.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass566.18107570
Monoisotopic Mass566.18107570
Topological Polar Surface Area170 Ų
Heavy Atom Count39
Formal Charge0
Complexity691
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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