13395-02-3,MFCD00797313
Catalog No.:AA009FLX

13395-02-3 | Aristololactam

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Purity
Availability
Price(USD)
Quantity
  
20mg
Analytical reference
in stock  
$2,513.00   $1,759.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA009FLX
Chemical Name:
Aristololactam
CAS Number:
13395-02-3
Molecular Formula:
C17H11NO4
Molecular Weight:
293.2735
MDL Number:
MFCD00797313
SMILES:
COc1cccc2c1cc1[nH]c(=O)c3c1c2c1OCOc1c3
NSC Number:
87406
Properties
Computed Properties
 
Complexity:
483  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.1  

Downstream Synthesis Route
13395-02-3    74-88-4   
N-methylaristololactam 

[1]Achari,Basudeb;Bandyopadhyay,Soumitra;Chakravarty,AjitK.;Pakrashi,SatyeshC.[OrganicMagneticResonance,1984,vol.22,#12,p.741-746]

[2]Chan,Chi-Kong;Chan,Kwan-KitJason;Liu,Ning;Chan,Wan[ChemicalResearchinToxicology,2021,vol.34,#1,p.144-153]

[1]Krumbiegel;Roth[ArchivderPharmazie,1987,vol.320,#3,p.264-270]

[2]Locationinpatent:bodytextHegde,VinodR.;Borges,Scott;Pu,Haiyan;Patel,Mahesh;Gullo,VincentP.;Wu,Bonnie;Kirschmeier,Paul;Williams,MichaelJ.;Madison,Vincent;Fischmann,Thierry;Chan,Tze-Ming[BioorganicandMedicinalChemistryLetters,2010,vol.20,#4,p.1384-1387]

[1]Krumbiegel;Roth[ArchivderPharmazie,1987,vol.320,#3,p.264-270]

[2]Chan,Chi-Kong;Chan,Kwan-KitJason;Liu,Ning;Chan,Wan[ChemicalResearchinToxicology,2021,vol.34,#1,p.144-153]

Literature

Title: Sulfotransferase-1A1-dependent bioactivation of aristolochic acid I and N-hydroxyaristolactam I in human cells.

Journal: Carcinogenesis 20160701

Title: Biomonitoring of aristolactam-DNA adducts in human tissues using ultra-performance liquid chromatography/ion-trap mass spectrometry.

Journal: Chemical research in toxicology 20120521

Title: A new aristolactam-type alkaloid from the roots of Aristolochia fangchi.

Journal: Journal of Asian natural products research 20120101

Title: Antibacterial activity of Aristolochia brevipes against multidrug-resistant Mycobacterium tuberculosis.

Journal: Molecules (Basel, Switzerland) 20110829

Title: Inhibition of renal NQO1 activity by dicoumarol suppresses nitroreduction of aristolochic acid I and attenuates its nephrotoxicity.

Journal: Toxicological sciences : an official journal of the Society of Toxicology 20110801

Title: Identification of a reduction product of aristolochic acid: implications for the metabolic activation of carcinogenic aristolochic acid.

Journal: Journal of natural products 20101227

Title: [Studies on the chemical constituents from the fruit of Aristolochia debilis].

Journal: Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20100801

Title: [Studies on solid phase extraction method of aristolochic acids and aristololactams in rat urine].

Journal: Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20071201

Title: A liquid chromatography-mass spectrometry method for the quantitation of aristololactam-I in rat plasma.

Journal: Biomedical chromatography : BMC 20070101

Title: Quantitative determination of aristolochic acid-derived DNA adducts in rats using 32P-postlabeling/polyacrylamide gel electrophoresis analysis.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20060701

Title: Simultaneous determination of five aristolochic acids and two aristololactams in Aristolochia plants by high-performance liquid chromatography.

Journal: Biomedical chromatography : BMC 20060401

Title: [Cellular mechanism of renal proximal tubular epithelial cell injury induced by aristolochic acid I and aristololactam I].

Journal: Beijing da xue xue bao. Yi xue ban = Journal of Peking University. Health sciences 20040201

Title: Acute nephrotoxicity of aristolochic acids in mice.

Journal: The Journal of pharmacy and pharmacology 20040201

Title: [Injury in renal proximal tubular epithelial cells induced by aristololactam I].

Journal: Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica 20040101

Title: Li J, et al. Toxicities of aristolochic acid I and aristololactam I in cultured renal epithelial cells. Toxicol In Vitro. 2010 Jun;24(4):1092-7.

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SDS
Tags:13395-02-3 Molecular Formula|13395-02-3 MDL|13395-02-3 SMILES|13395-02-3 Aristololactam
Catalog No.: AA009FLX
13395-02-3,MFCD00797313
13395-02-3 | Aristololactam
Pack Size: 20mg
Purity: Analytical reference
in stock
$2,513.00 $1,759.00
Quantity
- +
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Technical Information
Catalog Number: AA009FLX
Chemical Name: Aristololactam
CAS Number: 13395-02-3
Molecular Formula: C17H11NO4
Molecular Weight: 293.2735
MDL Number: MFCD00797313
SMILES: COc1cccc2c1cc1[nH]c(=O)c3c1c2c1OCOc1c3
NSC Number: 87406
Properties
Complexity: 483  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 22  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.1  
Downstream Synthesis Route
13395-02-3    74-88-4   
N-methylaristololactam 

[1]Achari,Basudeb;Bandyopadhyay,Soumitra;Chakravarty,AjitK.;Pakrashi,SatyeshC.[OrganicMagneticResonance,1984,vol.22,#12,p.741-746]

[2]Chan,Chi-Kong;Chan,Kwan-KitJason;Liu,Ning;Chan,Wan[ChemicalResearchinToxicology,2021,vol.34,#1,p.144-153]

13395-02-3    85814-30-8 

[1]Krumbiegel;Roth[ArchivderPharmazie,1987,vol.320,#3,p.264-270]

[2]Locationinpatent:bodytextHegde,VinodR.;Borges,Scott;Pu,Haiyan;Patel,Mahesh;Gullo,VincentP.;Wu,Bonnie;Kirschmeier,Paul;Williams,MichaelJ.;Madison,Vincent;Fischmann,Thierry;Chan,Tze-Ming[BioorganicandMedicinalChemistryLetters,2010,vol.20,#4,p.1384-1387]

313-67-7    13395-02-3 

[1]Krumbiegel;Roth[ArchivderPharmazie,1987,vol.320,#3,p.264-270]

[2]Chan,Chi-Kong;Chan,Kwan-KitJason;Liu,Ning;Chan,Wan[ChemicalResearchinToxicology,2021,vol.34,#1,p.144-153]

Literature fold

Title: Sulfotransferase-1A1-dependent bioactivation of aristolochic acid I and N-hydroxyaristolactam I in human cells.

Journal: Carcinogenesis20160701

Title: Biomonitoring of aristolactam-DNA adducts in human tissues using ultra-performance liquid chromatography/ion-trap mass spectrometry.

Journal: Chemical research in toxicology20120521

Title: A new aristolactam-type alkaloid from the roots of Aristolochia fangchi.

Journal: Journal of Asian natural products research20120101

Title: Antibacterial activity of Aristolochia brevipes against multidrug-resistant Mycobacterium tuberculosis.

Journal: Molecules (Basel, Switzerland)20110829

Title: Inhibition of renal NQO1 activity by dicoumarol suppresses nitroreduction of aristolochic acid I and attenuates its nephrotoxicity.

Journal: Toxicological sciences : an official journal of the Society of Toxicology20110801

Title: Identification of a reduction product of aristolochic acid: implications for the metabolic activation of carcinogenic aristolochic acid.

Journal: Journal of natural products20101227

Title: [Studies on the chemical constituents from the fruit of Aristolochia debilis].

Journal: Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials20100801

Title: [Studies on solid phase extraction method of aristolochic acids and aristololactams in rat urine].

Journal: Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica20071201

Title: A liquid chromatography-mass spectrometry method for the quantitation of aristololactam-I in rat plasma.

Journal: Biomedical chromatography : BMC20070101

Title: Quantitative determination of aristolochic acid-derived DNA adducts in rats using 32P-postlabeling/polyacrylamide gel electrophoresis analysis.

Journal: Drug metabolism and disposition: the biological fate of chemicals20060701

Title: Simultaneous determination of five aristolochic acids and two aristololactams in Aristolochia plants by high-performance liquid chromatography.

Journal: Biomedical chromatography : BMC20060401

Title: [Cellular mechanism of renal proximal tubular epithelial cell injury induced by aristolochic acid I and aristololactam I].

Journal: Beijing da xue xue bao. Yi xue ban = Journal of Peking University. Health sciences20040201

Title: Acute nephrotoxicity of aristolochic acids in mice.

Journal: The Journal of pharmacy and pharmacology20040201

Title: [Injury in renal proximal tubular epithelial cells induced by aristololactam I].

Journal: Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica20040101

Title: Li J, et al. Toxicities of aristolochic acid I and aristololactam I in cultured renal epithelial cells. Toxicol In Vitro. 2010 Jun;24(4):1092-7.

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