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CFMTI

CAT: 0804-HY-100402-04Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-100402-04Size:25 mg
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Description
CFMTI inhibits L-glutamate-induced intracellular Ca2+ mobilization in CHO cells expressing human and rat mGluR1a, with IC50s of 2.6 and 2.3 nM, respectively[1].
CAS Number
864864-17-5
UNSPSC
12352005
Target
MGluR
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/CFMTI.html
Purity
98.0
Solubility
DMSO : 3.7 mg/mL (ultrasonic; warming; heat to 80°C)
Smiles
O=C1N(C2CC2)CC3=C1C=CC(C4=C(C)N(C5=CC=CN=C5F)N=N4)=C3
Molecular Formula
C19H16FN5O
Molecular Weight
349.36
References & Citations
[1]Satow A et al. Unique antipsychotic activities of the selective metabotropic glutamate receptor 1 allosteric antagonist 2-cyclopropyl-5-[1- (2-fluoro-3-pyridinyl) -5-methyl-1H-1,2,3-triazol-4-yl]-2,3-dihydro-1H-isoindol-1-one. J Pharmacol Exp Ther. 2009 Jul;330 (1) :179-90.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MGluR1

Chemical Information

2-cyclopropyl-5-(1-(2-fluoro-3-pyridinyl)-5-methyl-1H-1,2,3-triazol-4-yl)-2,3-dihydro-1H-isoindol-1-one

a glutamate receptor antagonist; structure in first source

CAS Number864864-17-5
PubChem CID11175501
IUPAC Name2-cyclopropyl-5-[1-(2-fluoro-3-pyridinyl)-5-methyltriazol-4-yl]-3H-isoindol-1-one
Molecular FormulaC19H16FN5O
Molecular Weight349.4
XLogP2.4
Topological Polar Surface Area63.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity558
SMILES
CC1=C(N=NN1C2=C(N=CC=C2)F)C3=CC4=C(C=C3)C(=O)N(C4)C5CC5
InChI
InChI=1S/C19H16FN5O/c1-11-17(22-23-25(11)16-3-2-8-21-18(16)20)12-4-7-15-13(9-12)10-24(19(15)26)14-5-6-14/h2-4,7-9,14H,5-6,10H2,1H3
InChIKey
XZBFQWRAIYRPPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-cyclopropyl-5-(1-(2-fluoro-3-pyridinyl)-5-methyl-1H-1,2,3-triazol-4-yl)-2,3-dihydro-1H-isoindol-1-one
CAS: 864864-17-5
CID: 11175501
Formula: C19H16FN5O
MW: 349.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight349.4
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass349.13388831
Monoisotopic Mass349.13388831
Topological Polar Surface Area63.9 Ų
Heavy Atom Count26
Formal Charge0
Complexity558
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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