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FTI-249

CAT: 0013-GTR19209608-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19209608-02Size:50 mg
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Description
FTI-249 is a potent and selective farnesyltransferase (FTase) inhibitor with an IC50 in the 100-200 nM range. This small molecule is a valuable research tool for studying Ras signaling pathways and has been utilized in both in vitro biochemical assays and in vivo models of oncology and proliferative diseases.
CAS Number
161721-65-9
Smiles
C (N[C@@H] (CCSC) C (O) =O) (=O) C1=CC=C (NC[C@H] (CS) N) C=C1
Molecular Formula
C15H23N3O3S2
Molecular Weight
357.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[4-(2-Amino-3-mercapto-propylamino)-benzoylamino]-4-methylsulfanyl-butyric acid
CAS Number161721-65-9
PubChem CID10450992
IUPAC Name(2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]benzoyl]amino]-4-methylsulfanylbutanoic acid
Molecular FormulaC15H23N3O3S2
Molecular Weight357.5
XLogP-1
Topological Polar Surface Area131
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count23
Formal Charge0
Complexity377
SMILES
CSCC[C@@H](C(=O)O)NC(=O)C1=CC=C(C=C1)NC[C@H](CS)N
InChI
InChI=1S/C15H23N3O3S2/c1-23-7-6-13(15(20)21)18-14(19)10-2-4-12(5-3-10)17-8-11(16)9-22/h2-5,11,13,17,22H,6-9,16H2,1H3,(H,18,19)(H,20,21)/t11-,13+/m1/s1
InChIKey
IPZVKZRBOSROBN-YPMHNXCESA-N
Chemical Structure
2D Structure
2D structure of 2-[4-(2-Amino-3-mercapto-propylamino)-benzoylamino]-4-methylsulfanyl-butyric acid
CAS: 161721-65-9
CID: 10450992
Formula: C15H23N3O3S2
MW: 357.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight357.5
XLogP3-1
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass357.11808395
Monoisotopic Mass357.11808395
Topological Polar Surface Area131 Ų
Heavy Atom Count23
Formal Charge0
Complexity377
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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