51411-04-2,MFCD00181399
Catalog No.:AA00D9U0

51411-04-2 | 2-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
98+%
in stock  
$26.00   $19.00
- +
5mg
98+%
in stock  
$66.00   $46.00
- +
10mg
98+%
in stock  
$85.00   $60.00
- +
50mg
98+%
in stock  
$144.00   $101.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00D9U0
Chemical Name:
2-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid
CAS Number:
51411-04-2
Molecular Formula:
C14H9NO4
Molecular Weight:
255.2256
MDL Number:
MFCD00181399
SMILES:
OC(=O)Cn1c(=O)c2cccc3c2c(c1=O)ccc3
Properties
Properties
 
Form:
Solid  
MP:
266-267℃  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
403  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.7  

Downstream Synthesis Route

[1]JournaloftheChemicalSociety,1931,p.871,872

[1]BulletinoftheChemicalSocietyofJapan,2011,vol.84,p.520-525

[2]HelveticaChimicaActa,1938,vol.21,p.1466,1479,1480

[1]TetrahedronAsymmetry,2003,vol.14,p.1355-1361

[2]JournaloftheChemicalSociety,1931,p.871,872

[1]EuropeanJournalofMedicinalChemistry,1998,vol.33,p.15-22

[2]JournalofOrganometallicChemistry,2013,vol.729,p.28-39

[3]CrystalGrowthandDesign,2011,vol.11,p.4068-4079

[4]CrystEngComm,2013,vol.15,p.10470-10480

[5]SyntheticCommunications,2006,vol.36,p.1933-1940

[6]Chemistry-AEuropeanJournal,2018,vol.24,p.18718-18734

[7]JournalofMaterialsChemistryC,2015,vol.3,p.1799-1806

[8]TetrahedronAsymmetry,2003,vol.14,p.1355-1361

[9]Patent:US2018/52170,2018,A1.Locationinpatent:Paragraph0057-0061

[10]NewJournalofChemistry,2018,vol.42,p.16167-16173

[11]OrganicandBiomolecularChemistry,2012,vol.10,p.126-133

[12]BulletinoftheChemicalSocietyofJapan,2011,vol.84,p.520-525

[13]JournalofPhysicalChemistryB,2003,vol.107,p.12838-12841

[14]Patent:CN103948595,2017,B.Locationinpatent:Paragraph0045;0046;0047;0048

[15]MedicinalChemistryResearch,2017,vol.26,p.2235-2242

[16]BioorganicChemistry,2019,vol.92

98-10-2    51411-04-2   
N-2-(1,3-Dioxo-1H,3H-benzodeisoquinolin-2-yl)-acetyl-benzenesulfonamide 

[1]EuropeanJournalofMedicinalChemistry,1998,vol.33,p.15-22

Literature

Title: Copper(II) carboxylate dimers prepared from ligands designed to form a robust π···π stacking synthon: supramolecular structures and molecular properties.

Journal: Inorganic chemistry 20120116

Title: The Prostaglandin F Synthase Activity of the Human Aldose Reductase AKR1B1 Brings New Lenses to Look at Pathologic Conditions.

Journal: Frontiers in pharmacology 20120101

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Diabetic cataract-pathogenesis, epidemiology and treatment.

Journal: Journal of ophthalmology 20100101

Title: Advances in pharmacological strategies for the prevention of cataract development.

Journal: Indian journal of ophthalmology 20090101

Title: Mechanism of high glucose induced angiotensin II production in rat vascular smooth muscle cells.

Journal: Circulation research 20070831

Title: Upregulation of aldose reductase by homocysteine in type II alveolar epithelial cells.

Journal: Biochemical and biophysical research communications 20051202

Title: Proteomic analysis of oxidative stress-resistant cells: a specific role for aldose reductase overexpression in cytoprotection.

Journal: Molecular & cellular proteomics : MCP 20040201

Title: Neonicotinoid insecticides: reduction and cleavage of imidacloprid nitroimine substituent by liver microsomal and cytosolic enzymes.

Journal: Chemical research in toxicology 20020901

Title: Impairment of type III group B Streptococcus-stimulated superoxide production and opsonophagocytosis by neutrophils in diabetes.

Journal: Molecular genetics and metabolism 20010701

Title: Aldose reductase inhibitors: a potential new class of agents for the pharmacological control of certain diabetic complications.

Journal: Journal of medicinal chemistry 19850701

Title: N-[5-(trifluoromethyl)-6-methoxy-1-naphthalenyl]thioxomethyl]- N-methylglycine (Tolrestat), a potent, orally active aldose reductase inhibitor.

Journal: Journal of medicinal chemistry 19840301

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Additional Info:
SDS
Tags:51411-04-2 Molecular Formula|51411-04-2 MDL|51411-04-2 SMILES|51411-04-2 2-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid
Catalog No.: AA00D9U0
51411-04-2,MFCD00181399
51411-04-2 | 2-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid
Pack Size: 1mg
Purity: 98+%
in stock
$26.00 $19.00
Pack Size: 5mg
Purity: 98+%
in stock
$66.00 $46.00
Pack Size: 10mg
Purity: 98+%
in stock
$85.00 $60.00
Pack Size: 50mg
Purity: 98+%
in stock
$144.00 $101.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00D9U0
Chemical Name: 2-(1,3-Dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)acetic acid
CAS Number: 51411-04-2
Molecular Formula: C14H9NO4
Molecular Weight: 255.2256
MDL Number: MFCD00181399
SMILES: OC(=O)Cn1c(=O)c2cccc3c2c(c1=O)ccc3
Properties
Form: Solid  
MP: 266-267℃  
Storage: Keep in dry area;2-8℃;  
Complexity: 403  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 19  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.7  
Downstream Synthesis Route
353262-66-5    51411-04-2 

[1]JournaloftheChemicalSociety,1931,p.871,872

67-56-1    51411-04-2    135980-44-8 

[1]BulletinoftheChemicalSocietyofJapan,2011,vol.84,p.520-525

[2]HelveticaChimicaActa,1938,vol.21,p.1466,1479,1480

51411-04-2    592515-22-5 

[1]TetrahedronAsymmetry,2003,vol.14,p.1355-1361

[2]JournaloftheChemicalSociety,1931,p.871,872

81-84-5    56-40-6    51411-04-2 

[1]EuropeanJournalofMedicinalChemistry,1998,vol.33,p.15-22

[2]JournalofOrganometallicChemistry,2013,vol.729,p.28-39

[3]CrystalGrowthandDesign,2011,vol.11,p.4068-4079

[4]CrystEngComm,2013,vol.15,p.10470-10480

[5]SyntheticCommunications,2006,vol.36,p.1933-1940

[6]Chemistry-AEuropeanJournal,2018,vol.24,p.18718-18734

[7]JournalofMaterialsChemistryC,2015,vol.3,p.1799-1806

[8]TetrahedronAsymmetry,2003,vol.14,p.1355-1361

[9]Patent:US2018/52170,2018,A1.Locationinpatent:Paragraph0057-0061

[10]NewJournalofChemistry,2018,vol.42,p.16167-16173

[11]OrganicandBiomolecularChemistry,2012,vol.10,p.126-133

[12]BulletinoftheChemicalSocietyofJapan,2011,vol.84,p.520-525

[13]JournalofPhysicalChemistryB,2003,vol.107,p.12838-12841

[14]Patent:CN103948595,2017,B.Locationinpatent:Paragraph0045;0046;0047;0048

[15]MedicinalChemistryResearch,2017,vol.26,p.2235-2242

[16]BioorganicChemistry,2019,vol.92

98-10-2    51411-04-2   
N-2-(1,3-Dioxo-1H,3H-benzodeisoquinolin-2-yl)-acetyl-benzenesulfonamide 

[1]EuropeanJournalofMedicinalChemistry,1998,vol.33,p.15-22

Literature fold

Title: Copper(II) carboxylate dimers prepared from ligands designed to form a robust π···π stacking synthon: supramolecular structures and molecular properties.

Journal: Inorganic chemistry20120116

Title: The Prostaglandin F Synthase Activity of the Human Aldose Reductase AKR1B1 Brings New Lenses to Look at Pathologic Conditions.

Journal: Frontiers in pharmacology20120101

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

Title: Diabetic cataract-pathogenesis, epidemiology and treatment.

Journal: Journal of ophthalmology20100101

Title: Advances in pharmacological strategies for the prevention of cataract development.

Journal: Indian journal of ophthalmology20090101

Title: Mechanism of high glucose induced angiotensin II production in rat vascular smooth muscle cells.

Journal: Circulation research20070831

Title: Upregulation of aldose reductase by homocysteine in type II alveolar epithelial cells.

Journal: Biochemical and biophysical research communications20051202

Title: Proteomic analysis of oxidative stress-resistant cells: a specific role for aldose reductase overexpression in cytoprotection.

Journal: Molecular & cellular proteomics : MCP20040201

Title: Neonicotinoid insecticides: reduction and cleavage of imidacloprid nitroimine substituent by liver microsomal and cytosolic enzymes.

Journal: Chemical research in toxicology20020901

Title: Impairment of type III group B Streptococcus-stimulated superoxide production and opsonophagocytosis by neutrophils in diabetes.

Journal: Molecular genetics and metabolism20010701

Title: Aldose reductase inhibitors: a potential new class of agents for the pharmacological control of certain diabetic complications.

Journal: Journal of medicinal chemistry19850701

Title: N-[5-(trifluoromethyl)-6-methoxy-1-naphthalenyl]thioxomethyl]- N-methylglycine (Tolrestat), a potent, orally active aldose reductase inhibitor.

Journal: Journal of medicinal chemistry19840301

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