sales@angenesci.com
Login | Register
logo
Structures Search
Home Aminos (3S)-3-amino-1-hydroxy-1,2,3,4-tetrahydroquinolin-2-one

(3S)-3-amino-1-hydroxy-1,2,3,4-tetrahydroquinolin-2-one

CAS No.:
34783-48-7
Catalog Number:
AG01A4QW
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A4QW
Chemical Name:
(3S)-3-amino-1-hydroxy-1,2,3,4-tetrahydroquinolin-2-one
CAS Number:
34783-48-7
Molecular Formula:
C9H10N2O2
Molecular Weight:
178.1879
MDL Number:
MFCD18633107
IUPAC Name:
(3S)-3-amino-1-hydroxy-3,4-dihydroquinolin-2-one
InChI:
InChI=1S/C9H10N2O2/c10-7-5-6-3-1-2-4-8(6)11(13)9(7)12/h1-4,7,13H,5,10H2/t7-/m0/s1
InChI Key:
HYTRYTZFJVVZAF-ZETCQYMHSA-N
SMILES:
O=C1[C@@H](N)Cc2c(N1O)cccc2
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
178.074g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.191g/mol
Monoisotopic Mass:
178.074g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Literature
Title Journal
Kynurenine Aminotransferase Isozyme Inhibitors: A Review. International journal of molecular sciences 20160601
PF-04859989 as a template for structure-based drug design: identification of new pyrazole series of irreversible KAT II inhibitors with improved lipophilic efficiency. Bioorganic & medicinal chemistry letters 20130401
Discovery of Brain-Penetrant, Irreversible Kynurenine Aminotransferase II Inhibitors for Schizophrenia. ACS medicinal chemistry letters 20120308
Aryl hydrocarbon receptor negatively regulates dendritic cell immunogenicity via a kynurenine-dependent mechanism. Proceedings of the National Academy of Sciences of the United States of America 20101116
Kynurenine is an endothelium-derived relaxing factor produced during inflammation. Nature medicine 20100301
Properties