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ICMT-IN-55

CAT: 0013-GTR19235122-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235122-02Size:10 mg
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Description
ICMT-IN-55 (compound 31) is a potent small molecule inhibitor of isoprenylcysteine carboxyl methyltransferase (ICMT), with a measured IC50 of 90 nM. This tool compound is used in biochemical and cellular research to investigate Ras protein localization and signaling in oncology and related fields.
CAS Number
1313602-77-5
Field of Research
Cell Biology, Metabolism Research
Smiles
C (CNC1=CC (OC (F) (F) F) =CC=C1) C2 (CC (C) (C) OCC2) C3=CC=CC=C3
Molecular Formula
C22H26F3NO2
Molecular Weight
393.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Icmt-IN-55
CAS Number1313602-77-5
PubChem CID53387554
IUPAC NameN-[2-(2,2-dimethyl-4-phenyloxan-4-yl)ethyl]-3-(trifluoromethoxy)aniline
Molecular FormulaC22H26F3NO2
Molecular Weight393.4
XLogP6.2
Topological Polar Surface Area30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count28
Formal Charge0
Complexity491
SMILES
CC1(CC(CCO1)(CCNC2=CC(=CC=C2)OC(F)(F)F)C3=CC=CC=C3)C
InChI
InChI=1S/C22H26F3NO2/c1-20(2)16-21(12-14-27-20,17-7-4-3-5-8-17)11-13-26-18-9-6-10-19(15-18)28-22(23,24)25/h3-10,15,26H,11-14,16H2,1-2H3
InChIKey
FTRVOMSNEXBJAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Icmt-IN-55
CAS: 1313602-77-5
CID: 53387554
Formula: C22H26F3NO2
MW: 393.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight393.4
XLogP36.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass393.19156356
Monoisotopic Mass393.19156356
Topological Polar Surface Area30.5 Ų
Heavy Atom Count28
Formal Charge0
Complexity491
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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