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FTI-277

CAT: 0013-GTR19154117-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19154117-02Size:50 mg
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Description
A peptide mimetic of the C-terminal Cys-Val-Ile-Met of K-Ras4B that potently inhibits FTase (Farnesyltransferase) with IC50 of 0.5 nM.
CAS Number
170006-73-2
Purity
>98%
Smiles
CSCC[C@@H] (C (=O) OC) NC (=O) C1C (=CC (NC[C@@H] (N) CS) =CC=1) C2=CC=CC=C2.OC (=O) C (F) (F) F
Molecular Formula
C22H29N3O3S2
Molecular Weight
561.637
Notes
For research use only.

Chemical Information

Fti 277

a ras CAAX (C - Cys; A - aliphatic amino acid; X - Ser or Met) peptidomimetic; inhibits farnesyltransferase; blocks Ras oncogenic signaling by accumulating Ras/Raf complexes in the cytoplasm; structure given in first source

CAS Number170006-73-2
PubChem CID3005532
IUPAC Namemethyl (2S)-2-[[4-[[(2R)-2-amino-3-sulfanylpropyl]amino]-2-phenylbenzoyl]amino]-4-methylsulfanylbutanoate
Molecular FormulaC22H29N3O3S2
Molecular Weight447.6
XLogP3.2
Topological Polar Surface Area120
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Heavy Atom Count30
Formal Charge0
Complexity532
SMILES
COC(=O)[C@H](CCSC)NC(=O)C1=C(C=C(C=C1)NC[C@H](CS)N)C2=CC=CC=C2
InChI
InChI=1S/C22H29N3O3S2/c1-28-22(27)20(10-11-30-2)25-21(26)18-9-8-17(24-13-16(23)14-29)12-19(18)15-6-4-3-5-7-15/h3-9,12,16,20,24,29H,10-11,13-14,23H2,1-2H3,(H,25,26)/t16-,20+/m1/s1
InChIKey
GKFPROVOIQKYTO-UZLBHIALSA-N
Chemical Structure
2D Structure
2D structure of Fti 277
CAS: 170006-73-2
CID: 3005532
Formula: C22H29N3O3S2
MW: 447.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.6
XLogP33.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count12
Exact Mass447.16503414
Monoisotopic Mass447.16503414
Topological Polar Surface Area120 Ų
Heavy Atom Count30
Formal Charge0
Complexity532
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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