FTI-2148 diTFA

CAT: 0931-T11330-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T11330-01Size:25 mg

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CAS Number

817586-01-9

Target

Others, Transferase

Related Pathways

Metabolism, Others

Bioactivity

FTI-2148 diTFA, a dual inhibitor targeting both farnesyl transferase (FT-1) and geranylgeranyl transferase-1 (GGT-1), functions as a RAS C-terminal mimetic. It exhibits potent inhibitory capabilities with IC50 values of 1.4 nM for FT-1 and 1.7 μM for GGT-1, respectively.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

FTI-2148 diTFA

CAS Number	817586-01-9
PubChem CID	168011754
IUPAC Name	(2S)-2-[[4-[(1H-imidazol-5-ylmethylamino)methyl]-2-(2-methylphenyl)benzoyl]amino]-4-methylsulfanylbutanoic acid;2,2,2-trifluoroacetic acid
Molecular Formula	C26H29F3N4O5S
Molecular Weight	566.6
Topological Polar Surface Area	170
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	11
Heavy Atom Count	39
Formal Charge	0
Complexity	691

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

CAS: 817586-01-9

CID: 168011754

Formula: C26H29F3N4O5S

MW: 566.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	566.6
Hydrogen Bond Donor Count	5
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	11
Exact Mass	566.18107570
Monoisotopic Mass	566.18107570
Topological Polar Surface Area	170 Å²
Heavy Atom Count	39
Formal Charge	0
Complexity	691
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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HY-118916A	FTI-2148 (diTFA)
MBS5766687	FTI-2148 diTFA
HY-118916-01	FTI-2148
406425	FTI-2148 free base
HY-122672A-01	Adhesamine (diTFA)
MBS5801523	Nemifitide diTFA
GTR19034901-01	Lanreotide diTFA
GTR19238820-01	Adhesamine diTFA
BA7709-10	FTI-2153
HY-15872	FTI-277

FTI-2148 diTFA

Chemical Information

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