ChemicalBook--->CAS DataBase List--->170006-72-1

170006-72-1

170006-72-1 Structure

170006-72-1 Structure
IdentificationBack Directory
[Name]

FTI-276
[CAS]

170006-72-1
[Synonyms]

FTI-276
ZIXDDEATQSBHHL-BEFAXECRSA-N
FTI-276 trifluoroacetate salt
N-[2-PHENYL-4-N[2(R)-AMINO-3-MERCAPTOPROPYLAMINO BENZOYL]-METHIONINE, TFA
N-[4-[2-(R)-AMINO-3-MERCAPTOPROPYL]AMINO-2-PHENYLBENZOYL]METHIONINE TRIFLUOROACETATE SALT
L-Methionine, N-[[5-[[(2R)-2-amino-3-mercaptopropyl]amino][1,1'-biphenyl]-2-yl]carbonyl]-
[Molecular Formula]

C21H27N3O3S2
[MDL Number]

MFCD03700738
[MOL File]

170006-72-1.mol
[Molecular Weight]

433.59
Chemical PropertiesBack Directory
[Boiling point ]

715.6±60.0 °C(Predicted)
[density ]

1.272±0.06 g/cm3(Predicted)
[storage temp. ]

−20°C
[solubility ]

H2O: >5 mg/mL, soluble
[form ]

solid
[pka]

3.54±0.10(Predicted)
[color ]

off-white
[Water Solubility ]

H2O: >5mg/mL
[InChIKey]

IAVHISGQCODLHL-WSCVZUBPSA-N
[SMILES]

OC(=O)C(F)(F)F.CSCC[C@H](NC(=O)c1ccc(NC[C@@H](N)CS)cc1-c2ccccc2)C(O)=O
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

N-[4-[2(R)-Amino-3-mercaptopropyl]amino-2-phenylbenzoyl]methionine Trifluoroacetate Salt is a useful intermediate.
[Definition]

ChEBI: (2S)-2-[[[4-[[(2R)-2-amino-3-mercaptopropyl]amino]-2-phenylphenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid is a methionine derivative.
[Biochem/physiol Actions]

FTI-276 is a highly potent RasCAAX peptidomimetic. FTI-276 antagonizes both H and K-Ras oncogenic signaling. It is an inhibitor of farnesyltransferase (Ftase) in vitro with an IC50 of 500 pM and is an anti-cancer agent.
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