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VU6001376

CAT: 0013-GTR19202926-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19202926-03Size:100 mg
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Description
VU6001376 is a potent and selective positive allosteric modulator of the mGlu4 receptor, exhibiting an EC50 of 50.1 nM. This research compound is utilized in vitro and in vivo to investigate the role of mGlu4 in neurological disorders such as Parkinson's disease.
CAS Number
1968546-34-0
Field of Research
Neuroscience
Smiles
C (NC1CC (F) (F) C1) (=O) C=2C=3C (=CC (NC=4C=5C (NN4) =CC=CN5) =CC3) SN2
Molecular Formula
C18H14F2N6OS
Molecular Weight
400.41
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

US10221172, Example 4
CAS Number1968546-34-0
PubChem CID122419159
IUPAC NameN-(3,3-difluorocyclobutyl)-6-(1H-pyrazolo[4,3-b]pyridin-3-ylamino)-1,2-benzothiazole-3-carboxamide
Molecular FormulaC18H14F2N6OS
Molecular Weight400.4
XLogP3.7
Topological Polar Surface Area124
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity605
SMILES
C1C(CC1(F)F)NC(=O)C2=NSC3=C2C=CC(=C3)NC4=NNC5=C4N=CC=C5
InChI
InChI=1S/C18H14F2N6OS/c19-18(20)7-10(8-18)23-17(27)14-11-4-3-9(6-13(11)28-26-14)22-16-15-12(24-25-16)2-1-5-21-15/h1-6,10H,7-8H2,(H,23,27)(H2,22,24,25)
InChIKey
NWYHEWQGANWLFU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of US10221172, Example 4
CAS: 1968546-34-0
CID: 122419159
Formula: C18H14F2N6OS
MW: 400.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.4
XLogP33.7
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass400.09178659
Monoisotopic Mass400.09178659
Topological Polar Surface Area124 Ų
Heavy Atom Count28
Formal Charge0
Complexity605
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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A13763-25VU6001376 25mg
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A13763-10VU6001376 10mg
A13763-50VU6001376 50mg
A13763-5VU6001376 5mg
A13763-1VU6001376 1mg

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