Home Halogens 3-Amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide

3-Amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide

CAS No.:
886047-13-8
Catalog Number:
AG008AYN
Molecular Formula:
C13H14ClN3O2S
Molecular Weight:
311.7872
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Product Description
Catalog Number:
AG008AYN
Chemical Name:
3-Amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide
CAS Number:
886047-13-8
Molecular Formula:
C13H14ClN3O2S
Molecular Weight:
311.7872
MDL Number:
MFCD12912423
IUPAC Name:
3-amino-5-chloro-N-cyclopropyl-6-methoxy-4-methylthieno[2,3-b]pyridine-2-carboxamide
InChI:
InChI=1S/C13H14ClN3O2S/c1-5-7-9(15)10(11(18)16-6-3-4-6)20-13(7)17-12(19-2)8(5)14/h6H,3-4,15H2,1-2H3,(H,16,18)
InChI Key:
CTEGQKDJTBWFHW-UHFFFAOYSA-N
SMILES:
COc1nc2sc(c(c2c(c1Cl)C)N)C(=O)NC1CC1
Properties
Complexity:
396  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.05g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
311.784g/mol
Monoisotopic Mass:
311.05g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
LY2033298, a positive allosteric modulator at muscarinic M₄ receptors, enhances inhibition by oxotremorine of light-induced phase shifts in hamster circadian activity rhythms. Psychopharmacology 20121101
Probe dependence in the allosteric modulation of a G protein-coupled receptor: implications for detection and validation of allosteric ligand effects. Molecular pharmacology 20120101
Impact of species variability and 'probe-dependence' on the detection and in vivo validation of allosteric modulation at the M4 muscarinic acetylcholine receptor. British journal of pharmacology 20110401
Molecular mechanisms of action and in vivo validation of an M4 muscarinic acetylcholine receptor allosteric modulator with potential antipsychotic properties. Neuropsychopharmacology : official publication of the American College of Neuropsychopharmacology 20100301
New insights into the function of M4 muscarinic acetylcholine receptors gained using a novel allosteric modulator and a DREADD (designer receptor exclusively activated by a designer drug). Molecular pharmacology 20081001
Allosteric modulation of the muscarinic M4 receptor as an approach to treating schizophrenia. Proceedings of the National Academy of Sciences of the United States of America 20080805
An allosteric potentiator of M4 mAChR modulates hippocampal synaptic transmission. Nature chemical biology 20080101
Properties