61563-24-4,MFCD11046677
Catalog No.:AA00EKQR

61563-24-4 | 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$240.00   $168.00
- +
100mg
95%
3 weeks  
$327.00   $229.00
- +
250mg
95%
3 weeks  
$443.00   $310.00
- +
500mg
95%
3 weeks  
$665.00   $465.00
- +
1g
95%
3 weeks  
$838.00   $587.00
- +
2.5g
95%
3 weeks  
$1,586.00   $1,110.00
- +
5g
95%
3 weeks  
$2,322.00   $1,625.00
- +
10g
95%
3 weeks  
$3,413.00   $2,389.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00EKQR
Chemical Name:
7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline
CAS Number:
61563-24-4
Molecular Formula:
C9H9Cl2N
Molecular Weight:
202.0805
MDL Number:
MFCD11046677
SMILES:
Clc1ccc2c(c1Cl)CNCC2
Properties
Computed Properties
 
Complexity:
163  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Literature

Title: 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.

Journal: Bioorganic & medicinal chemistry 20080101

Title: Exploring the active site of phenylethanolamine N-methyltransferase with 1,2,3,4-tetrahydrobenz[h]isoquinoline inhibitors.

Journal: Bioorganic & medicinal chemistry 20070201

Title: 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: Journal of medicinal chemistry 20060907

Title: Structural, mutagenic, and kinetic analysis of the binding of substrates and inhibitors of human phenylethanolamine N-methyltransferase.

Journal: Journal of medicinal chemistry 20051117

Title: Exploring the active site of phenylethanolamine N-methyltransferase with 3-hydroxyethyl- and 3-hydroxypropyl-7-substituted-1,2,3,4-tetrahydroisoquinolines.

Journal: Bioorganic & medicinal chemistry letters 20050215

Title: 3-hydroxymethyl-7-(N-substituted aminosulfonyl)-1,2,3,4-tetrahydroisoquinoline inhibitors of phenylethanolamine N-methyltransferase that display remarkable potency and selectivity.

Journal: Journal of medicinal chemistry 20050113

Title: Phenylethanolamine N-methyltransferase inhibition: re-evaluation of kinetic data.

Journal: Bioorganic & medicinal chemistry letters 20040816

Title: Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase.

Journal: Journal of medicinal chemistry 20040101

Title: 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: Journal of medicinal chemistry 20010816

Title: Phenylethanolamine N-methyltransferase kinetics: bovine versus recombinant human enzyme.

Journal: Bioorganic & medicinal chemistry letters 20010618

Title: The influence of SK & F 64139, a phenylethanolamine-N-methyltransferase inhibitor, on centrally mediated cardiovascular effects of alpha-methyldopa and clonidine.

Journal: Naunyn-Schmiedeberg's archives of pharmacology 19821201

Title: Properties of 8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine, an inhibitor of norepinephrine N-methyltransferase.

Journal: Biochemical pharmacology 19810601

Title: Pramod C Nair, et al. Using Theory to Reconcile Experiment: The Structural and Thermodynamic Basis of Ligand Recognition by Phenylethanolamine N-Methyltransferase (PNMT). J Chem Theory Comput. 2011 May 10;7(5):1458-68.

Title: N Y Liang, et al. Inhibitors of phenylethanolamine-N-methyltransferase. 2. Comparison of nonaromatic analogs of phenylethanolamines, 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline (SKF-64139) and 2,3-dichloro-alpha-methylbenzylamine: effects on rat brain and adrenal catecholamine content and blood pressure. J Pharmacol Exp Ther. 1982 Nov;223(2):382-7.

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SDS
Tags:61563-24-4 Molecular Formula|61563-24-4 MDL|61563-24-4 SMILES|61563-24-4 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline
Catalog No.: AA00EKQR
61563-24-4,MFCD11046677
61563-24-4 | 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline
Pack Size: 50mg
Purity: 95%
3 weeks
$240.00 $168.00
Pack Size: 100mg
Purity: 95%
3 weeks
$327.00 $229.00
Pack Size: 250mg
Purity: 95%
3 weeks
$443.00 $310.00
Pack Size: 500mg
Purity: 95%
3 weeks
$665.00 $465.00
Pack Size: 1g
Purity: 95%
3 weeks
$838.00 $587.00
Pack Size: 2.5g
Purity: 95%
3 weeks
$1,586.00 $1,110.00
Pack Size: 5g
Purity: 95%
3 weeks
$2,322.00 $1,625.00
Pack Size: 10g
Purity: 95%
3 weeks
$3,413.00 $2,389.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA00EKQR
Chemical Name: 7,8-Dichloro-1,2,3,4-tetrahydroisoquinoline
CAS Number: 61563-24-4
Molecular Formula: C9H9Cl2N
Molecular Weight: 202.0805
MDL Number: MFCD11046677
SMILES: Clc1ccc2c(c1Cl)CNCC2
Properties
Complexity: 163  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 12  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
Literature fold

Title: 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.

Journal: Bioorganic & medicinal chemistry20080101

Title: Exploring the active site of phenylethanolamine N-methyltransferase with 1,2,3,4-tetrahydrobenz[h]isoquinoline inhibitors.

Journal: Bioorganic & medicinal chemistry20070201

Title: 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: Journal of medicinal chemistry20060907

Title: Structural, mutagenic, and kinetic analysis of the binding of substrates and inhibitors of human phenylethanolamine N-methyltransferase.

Journal: Journal of medicinal chemistry20051117

Title: Exploring the active site of phenylethanolamine N-methyltransferase with 3-hydroxyethyl- and 3-hydroxypropyl-7-substituted-1,2,3,4-tetrahydroisoquinolines.

Journal: Bioorganic & medicinal chemistry letters20050215

Title: 3-hydroxymethyl-7-(N-substituted aminosulfonyl)-1,2,3,4-tetrahydroisoquinoline inhibitors of phenylethanolamine N-methyltransferase that display remarkable potency and selectivity.

Journal: Journal of medicinal chemistry20050113

Title: Phenylethanolamine N-methyltransferase inhibition: re-evaluation of kinetic data.

Journal: Bioorganic & medicinal chemistry letters20040816

Title: Molecular recognition of sub-micromolar inhibitors by the epinephrine-synthesizing enzyme phenylethanolamine N-methyltransferase.

Journal: Journal of medicinal chemistry20040101

Title: 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: Journal of medicinal chemistry20010816

Title: Phenylethanolamine N-methyltransferase kinetics: bovine versus recombinant human enzyme.

Journal: Bioorganic & medicinal chemistry letters20010618

Title: The influence of SK & F 64139, a phenylethanolamine-N-methyltransferase inhibitor, on centrally mediated cardiovascular effects of alpha-methyldopa and clonidine.

Journal: Naunyn-Schmiedeberg's archives of pharmacology19821201

Title: Properties of 8,9-dichloro-2,3,4,5-tetrahydro-1H-2-benzazepine, an inhibitor of norepinephrine N-methyltransferase.

Journal: Biochemical pharmacology19810601

Title: Pramod C Nair, et al. Using Theory to Reconcile Experiment: The Structural and Thermodynamic Basis of Ligand Recognition by Phenylethanolamine N-Methyltransferase (PNMT). J Chem Theory Comput. 2011 May 10;7(5):1458-68.

Title: N Y Liang, et al. Inhibitors of phenylethanolamine-N-methyltransferase. 2. Comparison of nonaromatic analogs of phenylethanolamines, 7,8-dichloro-1,2,3,4-tetrahydroisoquinoline (SKF-64139) and 2,3-dichloro-alpha-methylbenzylamine: effects on rat brain and adrenal catecholamine content and blood pressure. J Pharmacol Exp Ther. 1982 Nov;223(2):382-7.

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