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COR659

CAT: 0804-HY-137204-06Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-137204-06Size:100 mg
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Description
COR659 is a potent and effective GABAB positive allosteric modulator (PAM) . COR659 suppresses alcohol and chocolate self-administration in rats[1].
CAS Number
544450-68-2
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
GABA Receptor
Type
Reference compound
Related Pathways
Membrane Transporter/Ion Channel; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/cor659.html
Purity
99.94
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
O=C(C1=C(NC(C2=CC=C(Cl)C=C2)=O)SC(C)=C1CC)OC
Molecular Formula
C16H16ClNO3S
Molecular Weight
337.82
Precautions
H302, H315, H319, H335
References & Citations
[1]Paola Maccioni, et al. Suppressing effect of COR659 on alcohol, sucrose, and chocolate self-administration in rats: involvement of the GABA B and cannabinoid CB 1 receptors. Psychopharmacology (Berl) . 2017 Sep;234 (17) :2525-2543.|[2]Francesca Ferlenghi, et al. The GABA B receptor positive allosteric modulator COR659: In vitro metabolism, in vivo pharmacokinetics in rats, synthesis and pharmacological characterization of metabolically protected derivatives. Eur J Pharm Sci. 2020 Dec 1;155:105544.|[3]Paola Maccioni, et al. Anti-addictive properties of COR659 - Additional pharmacological evidence and comparison with a series of novel analogues. Alcohol. 2019 Mar;75:55-66.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate
CAS Number544450-68-2
PubChem CID897320
IUPAC Namemethyl 2-[(4-chlorobenzoyl)amino]-4-ethyl-5-methylthiophene-3-carboxylate
Molecular FormulaC16H16ClNO3S
Molecular Weight337.8
XLogP5
Topological Polar Surface Area83.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count22
Formal Charge0
Complexity412
SMILES
CCC1=C(SC(=C1C(=O)OC)NC(=O)C2=CC=C(C=C2)Cl)C
InChI
InChI=1S/C16H16ClNO3S/c1-4-12-9(2)22-15(13(12)16(20)21-3)18-14(19)10-5-7-11(17)8-6-10/h5-8H,4H2,1-3H3,(H,18,19)
InChIKey
AAFLALGGEYRGTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 2-(4-chlorobenzamido)-4-ethyl-5-methylthiophene-3-carboxylate
CAS: 544450-68-2
CID: 897320
Formula: C16H16ClNO3S
MW: 337.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight337.8
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass337.0539422
Monoisotopic Mass337.0539422
Topological Polar Surface Area83.6 Ų
Heavy Atom Count22
Formal Charge0
Complexity412
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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