1532-84-9,MFCD00024137
Catalog No.:AA003R2P

1532-84-9 | 1-Aminoisoquinoline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$20.00   $14.00
- +
5g
95%
in stock  
$30.00   $21.00
- +
10g
95%
in stock  
$53.00   $37.00
- +
25g
95%
in stock  
$132.00   $92.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003R2P
Chemical Name:
1-Aminoisoquinoline
CAS Number:
1532-84-9
Molecular Formula:
C9H8N2
Molecular Weight:
144.1732
MDL Number:
MFCD00024137
SMILES:
Nc1nccc2c1cccc2
Properties
Properties
 
BP:
323.9°C at 760 mmHg  
Form:
Solid  
MP:
122-124 °C(lit.)  
Refractive Index:
1.7080 (estimate)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
136  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.9  

Literature

Title: Synthesis of 1-aminoisoquinolines via Rh(III)-catalyzed oxidative coupling.

Journal: Organic letters 20110902

Title: An efficient route to 1-aminoisoquinolines via AgOTf-catalyzed reaction of 2-alkynylbenzaldoxime with amine.

Journal: Organic & biomolecular chemistry 20110707

Title: Biological evaluation of polyhalo 1,3-diazaheterocycle fused isoquinolin-1(2H)-imine derivatives.

Journal: European journal of medicinal chemistry 20110401

Title: Optimisation of 6-substituted isoquinolin-1-amine based ROCK-I inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20110215

Title: Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.

Journal: The Biochemical journal 20101001

Title: Direct metalation of heteroaromatic esters and nitriles using a mixed lithium-cadmium base. Subsequent conversion to dipyridopyrimidinones.

Journal: The Journal of organic chemistry 20100205

Title: Sigma-1 ligands: Tic-hydantoin as a key pharmacophore.

Journal: European journal of medicinal chemistry 20100101

Title: Selective inhibitors of the mutant B-Raf pathway: discovery of a potent and orally bioavailable aminoisoquinoline.

Journal: Journal of medicinal chemistry 20091022

Title: Large-scale application of high-throughput molecular mechanics with Poisson-Boltzmann surface area for routine physics-based scoring of protein-ligand complexes.

Journal: Journal of medicinal chemistry 20090528

Title: Aggregation of imine-based metallo-supramolecular architectures through pi-pi interactions.

Journal: Dalton transactions (Cambridge, England : 2003) 20060614

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology 20050601

Title: Pathophysiological role of poly(ADP-ribose) polymerase (PARP) activation during acetaminophen-induced liver cell necrosis in mice.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20050301

Title: Identification and specificity studies of small-molecule ligands for SH3 protein domains.

Journal: Journal of medicinal chemistry 20041021

Title: Design, synthesis, and evaluation of oxyanion-hole selective inhibitor substituents for the S1 subsite of factor Xa.

Journal: Bioorganic & medicinal chemistry letters 20041018

Title: Structure-based design of novel guanidine/benzamidine mimics: potent and orally bioavailable factor Xa inhibitors as novel anticoagulants.

Journal: Journal of medicinal chemistry 20031009

Title: Synthesis and pharmacological study of Rho-kinase inhibitors: pharmacomodulations on the lead compound Fasudil.

Journal: Journal of enzyme inhibition and medicinal chemistry 20030401

Title: Substituted acrylamides as factor Xa inhibitors: improving bioavailability by P1 modification.

Journal: Bioorganic & medicinal chemistry letters 20020805

Title: Chemistry of stable iminopropadienones, RN=C=C=C=O.

Journal: The Journal of organic chemistry 20020419

Title: The design of competitive, small-molecule inhibitors of coagulation factor Xa.

Journal: Current topics in medicinal chemistry 20010601

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SDS
Tags:1532-84-9 Molecular Formula|1532-84-9 MDL|1532-84-9 SMILES|1532-84-9 1-Aminoisoquinoline
Catalog No.: AA003R2P
1532-84-9,MFCD00024137
1532-84-9 | 1-Aminoisoquinoline
Pack Size: 1g
Purity: 95%
in stock
$20.00 $14.00
Pack Size: 5g
Purity: 95%
in stock
$30.00 $21.00
Pack Size: 10g
Purity: 95%
in stock
$53.00 $37.00
Pack Size: 25g
Purity: 95%
in stock
$132.00 $92.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003R2P
Chemical Name: 1-Aminoisoquinoline
CAS Number: 1532-84-9
Molecular Formula: C9H8N2
Molecular Weight: 144.1732
MDL Number: MFCD00024137
SMILES: Nc1nccc2c1cccc2
Properties
BP: 323.9°C at 760 mmHg  
Form: Solid  
MP: 122-124 °C(lit.)  
Refractive Index: 1.7080 (estimate)  
Storage: Inert atmosphere;Room Temperature;  
Complexity: 136  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.9  
Literature fold

Title: Synthesis of 1-aminoisoquinolines via Rh(III)-catalyzed oxidative coupling.

Journal: Organic letters20110902

Title: An efficient route to 1-aminoisoquinolines via AgOTf-catalyzed reaction of 2-alkynylbenzaldoxime with amine.

Journal: Organic & biomolecular chemistry20110707

Title: Biological evaluation of polyhalo 1,3-diazaheterocycle fused isoquinolin-1(2H)-imine derivatives.

Journal: European journal of medicinal chemistry20110401

Title: Optimisation of 6-substituted isoquinolin-1-amine based ROCK-I inhibitors.

Journal: Bioorganic & medicinal chemistry letters20110215

Title: Fragment-based screening by X-ray crystallography, MS and isothermal titration calorimetry to identify PNMT (phenylethanolamine N-methyltransferase) inhibitors.

Journal: The Biochemical journal20101001

Title: Direct metalation of heteroaromatic esters and nitriles using a mixed lithium-cadmium base. Subsequent conversion to dipyridopyrimidinones.

Journal: The Journal of organic chemistry20100205

Title: Sigma-1 ligands: Tic-hydantoin as a key pharmacophore.

Journal: European journal of medicinal chemistry20100101

Title: Selective inhibitors of the mutant B-Raf pathway: discovery of a potent and orally bioavailable aminoisoquinoline.

Journal: Journal of medicinal chemistry20091022

Title: Large-scale application of high-throughput molecular mechanics with Poisson-Boltzmann surface area for routine physics-based scoring of protein-ligand complexes.

Journal: Journal of medicinal chemistry20090528

Title: Aggregation of imine-based metallo-supramolecular architectures through pi-pi interactions.

Journal: Dalton transactions (Cambridge, England : 2003)20060614

Title: Prediction of genotoxicity of chemical compounds by statistical learning methods.

Journal: Chemical research in toxicology20050601

Title: Pathophysiological role of poly(ADP-ribose) polymerase (PARP) activation during acetaminophen-induced liver cell necrosis in mice.

Journal: Toxicological sciences : an official journal of the Society of Toxicology20050301

Title: Identification and specificity studies of small-molecule ligands for SH3 protein domains.

Journal: Journal of medicinal chemistry20041021

Title: Design, synthesis, and evaluation of oxyanion-hole selective inhibitor substituents for the S1 subsite of factor Xa.

Journal: Bioorganic & medicinal chemistry letters20041018

Title: Structure-based design of novel guanidine/benzamidine mimics: potent and orally bioavailable factor Xa inhibitors as novel anticoagulants.

Journal: Journal of medicinal chemistry20031009

Title: Synthesis and pharmacological study of Rho-kinase inhibitors: pharmacomodulations on the lead compound Fasudil.

Journal: Journal of enzyme inhibition and medicinal chemistry20030401

Title: Substituted acrylamides as factor Xa inhibitors: improving bioavailability by P1 modification.

Journal: Bioorganic & medicinal chemistry letters20020805

Title: Chemistry of stable iminopropadienones, RN=C=C=C=O.

Journal: The Journal of organic chemistry20020419

Title: The design of competitive, small-molecule inhibitors of coagulation factor Xa.

Journal: Current topics in medicinal chemistry20010601

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