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CMPPE

CAT: 0013-GTR19250233-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250233-01Size:50 mg
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Description
CMPPE is a GABAB receptor positive allosteric modulator (PAM) that has been shown in preclinical studies to reduce alcohol self-administration and prevent relapse in rodent models. This small molecule is a useful research tool for investigating addiction neurobiology and GABAB receptor function in both in vivo and in vitro experiments.
CAS Number
841253-81-4
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
ClC=1C=CC (=CC1) C2=NN3C (N=C (C=C3N4CCCCC4CCO) C) =C2
Molecular Formula
C20H23ClN4O
Molecular Weight
370.876
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Cmppe
CAS Number841253-81-4
PubChem CID3229907
IUPAC Name2-[1-[2-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]piperidin-2-yl]ethanol
Molecular FormulaC20H23ClN4O
Molecular Weight370.9
XLogP4.1
Topological Polar Surface Area53.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count26
Formal Charge0
Complexity459
SMILES
CC1=NC2=CC(=NN2C(=C1)N3CCCCC3CCO)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H23ClN4O/c1-14-12-20(24-10-3-2-4-17(24)9-11-26)25-19(22-14)13-18(23-25)15-5-7-16(21)8-6-15/h5-8,12-13,17,26H,2-4,9-11H2,1H3
InChIKey
TZWSGOPCLUTFBZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cmppe
CAS: 841253-81-4
CID: 3229907
Formula: C20H23ClN4O
MW: 370.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight370.9
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass370.1560391
Monoisotopic Mass370.1560391
Topological Polar Surface Area53.7 Ų
Heavy Atom Count26
Formal Charge0
Complexity459
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
HY-134912CMPPE

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