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FITM

CAT: 0013-GTR19167743-04Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19167743-04Size:5 mg
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Description
FITM is a highly potent and selective negative allosteric modulator of the metabotropic glutamate receptor 1 (mGlu1), exhibiting a Ki of 2.5 nM. This small molecule is a valuable research tool for investigating mGlu1 function in neurological disorders, with applications in both in vitro binding assays and in vivo pharmacological studies.
CAS Number
932737-65-0
Product Name Alternative
FITM, Inhibitor, Metabotropic glutamate receptors, mGluR, mGluR1, inhibit
Field of Research
Neuroscience
Purity
≥95% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:4 mg/mL (10.77 mM) ; DMSO:150 mg/mL (403.84 mM)
Smiles
CC (C) Nc1cc (ncn1) -c1csc (n1) N (C) C (=O) c1ccc (F) cc1
Molecular Formula
C18H18FN5OS
Molecular Weight
371.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

4-fluoro-N-(4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl)-N-methylbenzamide

a PET ligand for imaging mGluR1 receptors; structure in first source

CAS Number932737-65-0
PubChem CID16660135
IUPAC Name4-fluoro-N-methyl-N-[4-[6-(propan-2-ylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]benzamide
Molecular FormulaC18H18FN5OS
Molecular Weight371.4
XLogP3.5
Topological Polar Surface Area99.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity474
SMILES
CC(C)NC1=NC=NC(=C1)C2=CSC(=N2)N(C)C(=O)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)
InChIKey
WIVGIKIKQHUFOD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-fluoro-N-(4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl)-N-methylbenzamide
CAS: 932737-65-0
CID: 16660135
Formula: C18H18FN5OS
MW: 371.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight371.4
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass371.12160955
Monoisotopic Mass371.12160955
Topological Polar Surface Area99.3 Ų
Heavy Atom Count26
Formal Charge0
Complexity474
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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