1125-60-6,MFCD00006907
Catalog No.:AA003MBI

1125-60-6 | 5-Aminoisoquinoline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$7.00   $5.00
- +
5g
95%
in stock  
$9.00   $7.00
- +
10g
95%
in stock  
$15.00   $10.00
- +
25g
95%
in stock  
$29.00   $20.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003MBI
Chemical Name:
5-Aminoisoquinoline
CAS Number:
1125-60-6
Molecular Formula:
C9H8N2
Molecular Weight:
144.1732
MDL Number:
MFCD00006907
SMILES:
Nc1cccc2c1ccnc2
NSC Number:
46880
Properties
Properties
 
BP:
335.7 °C at 760 mmHg  
Form:
Solid  
MP:
125-128 °C  
Refractive Index:
1.7080 (estimate)  
Stability:
Light Sensitive  
Storage:
Keep in dry area;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:
1.4  

Upstream Synthesis Route

[1]JournalfuerPraktischeChemie(Leipzig),1895,vol.<2>52,p.10

[2]JournalfuerPraktischeChemie(Leipzig),1895,vol.<2>52,p.10

[3]YakugakuZasshi,1953,vol.73,p.666

[4]Chem.Abstr.,1954,p.7014

[1]JournalofMedicinalChemistry,2002,vol.45,#3,p.740-743

[2]Patent:WO2009/130481,2009,A1,

[1]JournalofMedicinalChemistry,2005,vol.48,#15,p.4972-4982

[1]CanadianJournalofChemistry,2005,vol.83,#3,p.213-219

[2]Patent:WO2009/130481,2009,A1,.Locationinpatent:Page/Pagecolumn142

[3]Patent:US2003/199511,2003,A1,.Locationinpatent:Page/Pagecolumn34

[4]Patent:WO2003/76398,2003,A2,.Locationinpatent:Page/Pagecolumn27

[5]Patent:US2004/180874,2004,A1,.Locationinpatent:Page/Pagecolumn18-19

[6]Patent:WO2003/76442,2003,A1,.Locationinpatent:Page/Pagecolumn40

[7]Patent:US2003/187026,2003,A1,

[1]Patent:US2003/83352,2003,A1,

[2]Patent:US2002/119963,2002,A1,

Downstream Synthesis Route

[1]JournaloftheAmericanChemicalSociety,1947,vol.69,p.1939,1941

[1]Synlett,1998,p.1028-1028

[2]Patent:CN105906564,2016,A.Locationinpatent:Page/Pagecolumn9;24;25

[3]JournaloftheChemicalSociety.PerkinTransactions1(2001),2001,p.955-977

[4]ARKIVOC,2010,vol.2010,p.265-290

[5]JournalofHeterocyclicChemistry,2012,vol.49,p.1443-1446

[6]BioorganicandMedicinalChemistry,2008,vol.16,p.4617-4625

[7]TurkishJournalofChemistry,2017,vol.41,p.784-792

[8]CatalysisCommunications,2015,vol.67,p.64-67

[9]Chemicalandpharmaceuticalbulletin,1980,vol.28,p.2515-2518

[10]CatalysisLetters,2014,vol.144,p.1258-1267

[11]ChemistryofHeterocyclicCompounds,1984,vol.20,p.394-398    KhimiyaGeterotsiklicheskikhSoedinenii,1984,vol.20,p.490-494

[12]JournalofOrganicChemistry,2014,vol.79,p.9433-9439

[13]AppliedOrganometallicChemistry,2020

[14]Chemistry-AEuropeanJournal,2018,vol.24,p.8989-8993

[15]JournalofMedicinalChemistry,2005,vol.48,p.4972-4982

[16]ChemCatChem,2019,vol.11,p.4189-4195

[17]Steroids,1995,vol.60,p.693-698

[18]NewJournalofChemistry,2018,vol.42,p.1373-1378

[19]JournalofChemicalResearch-PartS,2000,p.290-291

[20]TetrahedronLetters,2012,vol.53,p.4858-4861

[21]JournalofOrganicChemistry,1986,vol.51,p.2011-2021

[22]Tetrahedron,2018,vol.74,p.2121-2129

[23]Tetrahedron,2017,vol.73,p.3898-3904

[24]SyntheticCommunications,2000,vol.30,p.3745-3754

[25]Patent:WO2012/146724,2012,A2.Locationinpatent:Page/Pagecolumn49

[26]Patent:US2014/57942,2014,A1.Locationinpatent:Paragraph0339

[27]Patent:WO2014/68035,2014,A1.Locationinpatent:Page/Pagecolumn35

[28]OrganicLetters,2019,vol.21,p.3764-3768

[29]JournalfurpraktischeChemie(Leipzig1954),1893,vol.<2>47,p.253

[30]JournalofOrganicChemistry,1945,vol.10,p.347,356

[31]JournaloftheChemicalSociety,1946,p.958,962

[32]MonatsheftefurChemie,1893,vol.14,p.146

[33]BioorganicandMedicinalChemistryLetters,1996,vol.6,p.2623-2628

[34]Patent:US2003/114422,2003,A1

[35]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2014,vol.53,p.1098-1109

[36]AngewandteChemie-InternationalEdition,2016,vol.55,p.15175-15179    Angew.Chem.,2016,vol.128,p.15400-15404,5

[37]BioorganicChemistry,2019,vol.82,p.100-108

[38]Patent:US4022900,1977,A

[1]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2018/170909,2018,A1Locationinpatent:Paragraph1355;1356

[2]Locationinpatent:experimentalpartFathalipour,Soghra;Shahrokhnia,Nazila;Afghan,Arash;Baradarani,MehdiM.[AsianJournalofChemistry,2010,vol.22,#8,p.5808-5814]

[3]Ferlin;Chiarelotto;Basadonna;Gia;Mobilio;Baccichetti;Carlassare[IlFarmaco,1989,vol.44,#12,p.1141-1155]

[4]CurrentPatentAssignee:CHEMOCENTRYXINC-US2013/225580,2013,A1Locationinpatent:Paragraph0198;0199

[5]CurrentPatentAssignee:CHEMOCENTRYXINC-US2018/9797,2018,A1Locationinpatent:Paragraph0195;0196

[1]CurrentPatentAssignee:RHEOSMEDICINESINC-WO2021/138298,2021,A1Locationinpatent:Paragraph00120;00178

[2]Peng,Xin;Wang,Qi;Mishra,Yogesh;Xu,Jinbin;Reichert,DavidE.;Malik,Maninder;Taylor,Michelle;Luedtke,RobertR.;Mach,RobertH.[BioorganicandMedicinalChemistryLetters,2015,vol.25,#3,p.519-523]

[3]Hollywood,Frank;Nay,Barry;Scriven,EricF.V.;Suschitzky,Hans;Khan,ZafarU.;Hull,Roy[JournaloftheChemicalSociety.PerkintransactionsI,1982,p.421-429]

[4]Li,Jinyu;Nie,Cunbin;Qiao,Yue;Hu,Jing;Li,Qifei;Wang,Qiang;Pu,Xiaohui;Yan,Lin;Qian,Hai[EuropeanJournalofMedicinalChemistry,2019,vol.178,p.433-445]

[1]Patent:US2003/158188,2003,A1

[2]Patent:US6933311,2005,B2

[3]Patent:US2005/113576,2005,A1.Locationinpatent:Page/Pagecolumn34

[4]Patent:US2004/157849,2004,A1

Literature

Title: Isoquinolin-5-amine.

Journal: Acta crystallographica. Section C, Crystal structure communications 20121001

Title: Rapid alterations of cell cycle control proteins in human T lymphocytes in microgravity.

Journal: Cell communication and signaling : CCS 20120101

Title: Inhibition of poly(ADP-ribose) polymerase-1 attenuates the toxicity of carbon tetrachloride.

Journal: Journal of enzyme inhibition and medicinal chemistry 20111201

Title: Oocyte numbers in the mouse increase after treatment with 5-aminoisoquinolinone: a potent inhibitor of poly(ADP-ribosyl)ation.

Journal: Biology of reproduction 20100501

Title: Evaluation of 5-aminoisoquinoline (5-AIQ), a novel PARP-1 inhibitor for genotoxicity potential in vitro and in vivo.

Journal: Toxicology mechanisms and methods 20100201

Title: Antimycin A-induced cell death depends on AIF translocation through NO production and PARP activation and is not involved in ROS generation, cytochrome c release and caspase-3 activation in HL-60 cells.

Journal: The Journal of antibiotics 20090301

Title: Possible role of poly(ADP-ribose) polymerase in pathological and physiological cardiac hypertrophy.

Journal: Methods and findings in experimental and clinical pharmacology 20061201

Title: Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.

Journal: Journal of medicinal chemistry 20061005

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Poly(ADP-Ribose) polymerase inhibition reduces reperfusion injury after heart transplantation.

Journal: Circulation research 20020111

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SDS
Tags:1125-60-6 Molecular Formula|1125-60-6 MDL|1125-60-6 SMILES|1125-60-6 5-Aminoisoquinoline
Catalog No.: AA003MBI
1125-60-6,MFCD00006907
1125-60-6 | 5-Aminoisoquinoline
Pack Size: 1g
Purity: 98%
in stock
$7.00 $5.00
Pack Size: 5g
Purity: 95%
in stock
$9.00 $7.00
Pack Size: 10g
Purity: 95%
in stock
$15.00 $10.00
Pack Size: 25g
Purity: 95%
in stock
$29.00 $20.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA003MBI
Chemical Name: 5-Aminoisoquinoline
CAS Number: 1125-60-6
Molecular Formula: C9H8N2
Molecular Weight: 144.1732
MDL Number: MFCD00006907
SMILES: Nc1cccc2c1ccnc2
NSC Number: 46880
Properties
BP: 335.7 °C at 760 mmHg  
Form: Solid  
MP: 125-128 °C  
Refractive Index: 1.7080 (estimate)  
Stability: Light Sensitive  
Storage: Keep in dry area;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: 1.4  
Upstream Synthesis Route
1125-60-6    2439-04-5 

[1]JournalfuerPraktischeChemie(Leipzig),1895,vol.<2>52,p.10

[2]JournalfuerPraktischeChemie(Leipzig),1895,vol.<2>52,p.10

[3]YakugakuZasshi,1953,vol.73,p.666

[4]Chem.Abstr.,1954,p.7014

1125-60-6    23687-27-6 

[1]JournalofMedicinalChemistry,2002,vol.45,#3,p.740-743

[2]Patent:WO2009/130481,2009,A1,

1125-60-6    5430-45-5 

[1]JournalofMedicinalChemistry,2005,vol.48,#15,p.4972-4982

1125-60-6    34784-04-8 

[1]CanadianJournalofChemistry,2005,vol.83,#3,p.213-219

[2]Patent:WO2009/130481,2009,A1,.Locationinpatent:Page/Pagecolumn142

[3]Patent:US2003/199511,2003,A1,.Locationinpatent:Page/Pagecolumn34

[4]Patent:WO2003/76398,2003,A2,.Locationinpatent:Page/Pagecolumn27

[5]Patent:US2004/180874,2004,A1,.Locationinpatent:Page/Pagecolumn18-19

[6]Patent:WO2003/76442,2003,A1,.Locationinpatent:Page/Pagecolumn40

[7]Patent:US2003/187026,2003,A1,

1125-60-6    12775-96-1    34784-04-8 

[1]Patent:US2003/83352,2003,A1,

[2]Patent:US2002/119963,2002,A1,

Downstream Synthesis Route
374554-54-8    1125-60-6 

[1]JournaloftheAmericanChemicalSociety,1947,vol.69,p.1939,1941

607-32-9    1125-60-6 

[1]Synlett,1998,p.1028-1028

[2]Patent:CN105906564,2016,A.Locationinpatent:Page/Pagecolumn9;24;25

[3]JournaloftheChemicalSociety.PerkinTransactions1(2001),2001,p.955-977

[4]ARKIVOC,2010,vol.2010,p.265-290

[5]JournalofHeterocyclicChemistry,2012,vol.49,p.1443-1446

[6]BioorganicandMedicinalChemistry,2008,vol.16,p.4617-4625

[7]TurkishJournalofChemistry,2017,vol.41,p.784-792

[8]CatalysisCommunications,2015,vol.67,p.64-67

[9]Chemicalandpharmaceuticalbulletin,1980,vol.28,p.2515-2518

[10]CatalysisLetters,2014,vol.144,p.1258-1267

[11]ChemistryofHeterocyclicCompounds,1984,vol.20,p.394-398    KhimiyaGeterotsiklicheskikhSoedinenii,1984,vol.20,p.490-494

[12]JournalofOrganicChemistry,2014,vol.79,p.9433-9439

[13]AppliedOrganometallicChemistry,2020

[14]Chemistry-AEuropeanJournal,2018,vol.24,p.8989-8993

[15]JournalofMedicinalChemistry,2005,vol.48,p.4972-4982

[16]ChemCatChem,2019,vol.11,p.4189-4195

[17]Steroids,1995,vol.60,p.693-698

[18]NewJournalofChemistry,2018,vol.42,p.1373-1378

[19]JournalofChemicalResearch-PartS,2000,p.290-291

[20]TetrahedronLetters,2012,vol.53,p.4858-4861

[21]JournalofOrganicChemistry,1986,vol.51,p.2011-2021

[22]Tetrahedron,2018,vol.74,p.2121-2129

[23]Tetrahedron,2017,vol.73,p.3898-3904

[24]SyntheticCommunications,2000,vol.30,p.3745-3754

[25]Patent:WO2012/146724,2012,A2.Locationinpatent:Page/Pagecolumn49

[26]Patent:US2014/57942,2014,A1.Locationinpatent:Paragraph0339

[27]Patent:WO2014/68035,2014,A1.Locationinpatent:Page/Pagecolumn35

[28]OrganicLetters,2019,vol.21,p.3764-3768

[29]JournalfurpraktischeChemie(Leipzig1954),1893,vol.<2>47,p.253

[30]JournalofOrganicChemistry,1945,vol.10,p.347,356

[31]JournaloftheChemicalSociety,1946,p.958,962

[32]MonatsheftefurChemie,1893,vol.14,p.146

[33]BioorganicandMedicinalChemistryLetters,1996,vol.6,p.2623-2628

[34]Patent:US2003/114422,2003,A1

[35]IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2014,vol.53,p.1098-1109

[36]AngewandteChemie-InternationalEdition,2016,vol.55,p.15175-15179    Angew.Chem.,2016,vol.128,p.15400-15404,5

[37]BioorganicChemistry,2019,vol.82,p.100-108

[38]Patent:US4022900,1977,A

1125-60-6    90564-61-7 

[1]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2018/170909,2018,A1Locationinpatent:Paragraph1355;1356

[2]Locationinpatent:experimentalpartFathalipour,Soghra;Shahrokhnia,Nazila;Afghan,Arash;Baradarani,MehdiM.[AsianJournalofChemistry,2010,vol.22,#8,p.5808-5814]

[3]Ferlin;Chiarelotto;Basadonna;Gia;Mobilio;Baccichetti;Carlassare[IlFarmaco,1989,vol.44,#12,p.1141-1155]

[4]CurrentPatentAssignee:CHEMOCENTRYXINC-US2013/225580,2013,A1Locationinpatent:Paragraph0198;0199

[5]CurrentPatentAssignee:CHEMOCENTRYXINC-US2018/9797,2018,A1Locationinpatent:Paragraph0195;0196

1125-60-6    43101-10-6 

[1]CurrentPatentAssignee:RHEOSMEDICINESINC-WO2021/138298,2021,A1Locationinpatent:Paragraph00120;00178

[2]Peng,Xin;Wang,Qi;Mishra,Yogesh;Xu,Jinbin;Reichert,DavidE.;Malik,Maninder;Taylor,Michelle;Luedtke,RobertR.;Mach,RobertH.[BioorganicandMedicinalChemistryLetters,2015,vol.25,#3,p.519-523]

[3]Hollywood,Frank;Nay,Barry;Scriven,EricF.V.;Suschitzky,Hans;Khan,ZafarU.;Hull,Roy[JournaloftheChemicalSociety.PerkintransactionsI,1982,p.421-429]

[4]Li,Jinyu;Nie,Cunbin;Qiao,Yue;Hu,Jing;Li,Qifei;Wang,Qiang;Pu,Xiaohui;Yan,Lin;Qian,Hai[EuropeanJournalofMedicinalChemistry,2019,vol.178,p.433-445]

1125-60-6    90721-34-9 

[1]Patent:US2003/158188,2003,A1

[2]Patent:US6933311,2005,B2

[3]Patent:US2005/113576,2005,A1.Locationinpatent:Page/Pagecolumn34

[4]Patent:US2004/157849,2004,A1

Literature fold

Title: Isoquinolin-5-amine.

Journal: Acta crystallographica. Section C, Crystal structure communications20121001

Title: Rapid alterations of cell cycle control proteins in human T lymphocytes in microgravity.

Journal: Cell communication and signaling : CCS20120101

Title: Inhibition of poly(ADP-ribose) polymerase-1 attenuates the toxicity of carbon tetrachloride.

Journal: Journal of enzyme inhibition and medicinal chemistry20111201

Title: Oocyte numbers in the mouse increase after treatment with 5-aminoisoquinolinone: a potent inhibitor of poly(ADP-ribosyl)ation.

Journal: Biology of reproduction20100501

Title: Evaluation of 5-aminoisoquinoline (5-AIQ), a novel PARP-1 inhibitor for genotoxicity potential in vitro and in vivo.

Journal: Toxicology mechanisms and methods20100201

Title: Antimycin A-induced cell death depends on AIF translocation through NO production and PARP activation and is not involved in ROS generation, cytochrome c release and caspase-3 activation in HL-60 cells.

Journal: The Journal of antibiotics20090301

Title: Possible role of poly(ADP-ribose) polymerase in pathological and physiological cardiac hypertrophy.

Journal: Methods and findings in experimental and clinical pharmacology20061201

Title: Using fragment cocktail crystallography to assist inhibitor design of Trypanosoma brucei nucleoside 2-deoxyribosyltransferase.

Journal: Journal of medicinal chemistry20061005

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

Title: Poly(ADP-Ribose) polymerase inhibition reduces reperfusion injury after heart transplantation.

Journal: Circulation research20020111

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