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VU0090157

CAT: 0013-GTR19196184-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196184-02Size:50 mg
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Description
VU0090157 is a selective allosteric potentiator of the M1 muscarinic acetylcholine receptor. It is a valuable research tool for investigating M1 receptor function in models of cognitive disorders, with applications in both in vitro assays and in vivo preclinical studies for schizophrenia and Alzheimer's disease.
CAS Number
312622-77-8
Field of Research
Neuroscience
Smiles
CN1C (=O) NC (C2=CC3=C (OCO3) C=C2[N+] ([O-]) =O) C (C (=O) OC2CCCC2) =C1C
Molecular Formula
C19H21N3O7
Molecular Weight
403.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cyclopentyl 1,6-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydropyrimidine-5-carboxylate
CAS Number312622-77-8
PubChem CID2882724
IUPAC Namecyclopentyl 3,4-dimethyl-6-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Molecular FormulaC19H21N3O7
Molecular Weight403.4
XLogP2.1
Topological Polar Surface Area123
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity728
SMILES
CC1=C(C(NC(=O)N1C)C2=CC3=C(C=C2[N+](=O)[O-])OCO3)C(=O)OC4CCCC4
InChI
InChI=1S/C19H21N3O7/c1-10-16(18(23)29-11-5-3-4-6-11)17(20-19(24)21(10)2)12-7-14-15(28-9-27-14)8-13(12)22(25)26/h7-8,11,17H,3-6,9H2,1-2H3,(H,20,24)
InChIKey
GUFKDOZSNUQIAS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cyclopentyl 1,6-dimethyl-4-(6-nitro-1,3-benzodioxol-5-yl)-2-oxo-3,4-dihydropyrimidine-5-carboxylate
CAS: 312622-77-8
CID: 2882724
Formula: C19H21N3O7
MW: 403.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight403.4
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass403.13795002
Monoisotopic Mass403.13795002
Topological Polar Surface Area123 Ų
Heavy Atom Count29
Formal Charge0
Complexity728
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

Alternative Products

CatalogName
MBS5778780VU0090157

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