Home Halogens Isoquinoline, 7,9-dichloro-1,2,3,4-tetrahydro-

Isoquinoline, 7,9-dichloro-1,2,3,4-tetrahydro-

CAS No.:
61563-24-4
Catalog Number:
AG00EKTJ
Molecular Formula:
C9H9Cl2N
Molecular Weight:
202.0805
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Product Description
Catalog Number:
AG00EKTJ
Chemical Name:
Isoquinoline, 7,9-dichloro-1,2,3,4-tetrahydro-
CAS Number:
61563-24-4
Molecular Formula:
C9H9Cl2N
Molecular Weight:
202.0805
MDL Number:
MFCD11046677
IUPAC Name:
7,8-dichloro-1,2,3,4-tetrahydroisoquinoline
InChI:
InChI=1S/C9H9Cl2N/c10-8-2-1-6-3-4-12-5-7(6)9(8)11/h1-2,12H,3-5H2
InChI Key:
WFPUBEDBBOGGIQ-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1Cl)CNCC2
UNII:
A0EP5O913J
Properties
Complexity:
163  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.011g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.078g/mol
Monoisotopic Mass:
201.011g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Synthesis of 4,5,6,7-tetrahydrothieno[3,2-c]pyridines and comparison with their isosteric 1,2,3,4-tetrahydroisoquinolines as inhibitors of phenylethanolamine N-methyltransferase. Bioorganic & medicinal chemistry 20080101
Exploring the active site of phenylethanolamine N-methyltransferase with 1,2,3,4-tetrahydrobenz[h]isoquinoline inhibitors. Bioorganic & medicinal chemistry 20070201
Comparison of the binding of 3-fluoromethyl-7-sulfonyl-1,2,3,4-tetrahydroisoquinolines with their isosteric sulfonamides to the active site of phenylethanolamine N-methyltransferase. Journal of medicinal chemistry 20060907
Structural, mutagenic, and kinetic analysis of the binding of substrates and inhibitors of human phenylethanolamine N-methyltransferase. Journal of medicinal chemistry 20051117
Exploring the active site of phenylethanolamine N-methyltransferase with 3-hydroxyethyl- and 3-hydroxypropyl-7-substituted-1,2,3,4-tetrahydroisoquinolines. Bioorganic & medicinal chemistry letters 20050215
3-hydroxymethyl-7-(N-substituted aminosulfonyl)-1,2,3,4-tetrahydroisoquinoline inhibitors of phenylethanolamine N-methyltransferase that display remarkable potency and selectivity. Journal of medicinal chemistry 20050113
Phenylethanolamine N-methyltransferase inhibition: re-evaluation of kinetic data. Bioorganic & medicinal chemistry letters 20040816
Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase. Journal of medicinal chemistry 20040101
Synthesis and evaluation of 4-fluoro-8-substituted-2,3,4,5-tetrahydro-1H-2-benzazapines as selective inhibitors of phenylethanolamine N-methyltransferase versus the alpha(2)-adrenoceptor. Journal of medicinal chemistry 20010816
Phenylethanolamine N-methyltransferase kinetics: bovine versus recombinant human enzyme. Bioorganic & medicinal chemistry letters 20010618
The influence of SK & F 64139, a phenylethanolamine-N-methyltransferase inhibitor, on centrally mediated cardiovascular effects of alpha-methyldopa and clonidine. Naunyn-Schmiedeberg's archives of pharmacology 19821201
Properties of 8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine, an inhibitor of norepinephrine N-methyltransferase. Biochemical pharmacology 19810601
Properties