Products for Research Use Only

VU6005649

CAT: 0013-GTR19175634-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19175634-02Size:10 mg
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Description
VU6005649 is a centrally penetrant small molecule agonist for the mGlu7 and mGlu8 receptors, exhibiting EC50 values of 0.65 μM and 2.6 μM, respectively. This compound is a valuable research tool for investigating the role of these receptors in neurological and psychiatric disorders, supporting both in vitro binding studies and in vivo behavioral experiments.
CAS Number
2137047-43-7
Product Name Alternative
Inhibit, Metabotropic glutamate receptors, mGlu7, mGlu7 receptor, mGlu8, mGlu8 receptor, mGluR, Inhibitor, VU 6005649, VU6005649, VU-6005649
Field of Research
Neuroscience
Purity
99.79% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (5.6 mM) ; DMSO:60 mg/mL (167.94 mM)
Smiles
COc1ccc (-c2c (C) nn3c (cc (C) nc23) C (F) (F) F) c (F) c1F
Molecular Formula
C16H12F5N3O
Molecular Weight
357.28
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(2,3-Difluoro-4-methoxyphenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CAS Number2137047-43-7
PubChem CID131954513
IUPAC Name3-(2,3-difluoro-4-methoxyphenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Molecular FormulaC16H12F5N3O
Molecular Weight357.28
XLogP3.8
Topological Polar Surface Area39.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Heavy Atom Count25
Formal Charge0
Complexity479
SMILES
CC1=NC2=C(C(=NN2C(=C1)C(F)(F)F)C)C3=C(C(=C(C=C3)OC)F)F
InChI
InChI=1S/C16H12F5N3O/c1-7-6-11(16(19,20)21)24-15(22-7)12(8(2)23-24)9-4-5-10(25-3)14(18)13(9)17/h4-6H,1-3H3
InChIKey
NYBZCKAQIIPSDS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(2,3-Difluoro-4-methoxyphenyl)-2,5-dimethyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CAS: 2137047-43-7
CID: 131954513
Formula: C16H12F5N3O
MW: 357.28
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight357.28
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count2
Exact Mass357.09005283
Monoisotopic Mass357.09005283
Topological Polar Surface Area39.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity479
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