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1010-93-1,MFCD01721819
Catalog No.:AA0003EP

1010-93-1 | 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)acetic acid

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5mg
98%
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$166.00   $117.00
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10mg
98%
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$238.00   $167.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA0003EP
Chemical Name:
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)acetic acid
CAS Number:
1010-93-1
Molecular Formula:
C6H7N3O4
Molecular Weight:
185.1375
MDL Number:
MFCD01721819
SMILES:
OC(=O)Cn1c(C)ncc1[N+](=O)[O-]
Properties
Computed Properties
 
Complexity:
226  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
-0.2  

Downstream Synthesis Route

[1]Bkhaitan,MajdiM.;Alarjah,Mohammed;Mirza,AghaZeeshan;Abdalla,AshrafN.;El-Said,HamdiM.;Faidah,HaniS.[ChemicalBiologyandDrugDesign,2018,vol.92,#6,p.1954-1962]

[2]Mirzaei,Javad;Amini,Mohsen;Pirelahi,Hooshang;Shafiee,Abbas[JournalofHeterocyclicChemistry,2008,vol.45,#3,p.921-925]

[3]Al-Masri,AhmedT.;Saadeh,HaythemA.;Mosleh,IbrahimM.;Mubarak,MohammadS.[MedicinalChemistryResearch,2012,vol.21,#8,p.1700-1707]

[4]Hay;Wilson;Moselen;Palmer;Denny[JournalofMedicinalChemistry,1994,vol.37,#3,p.381-391]

[5]Locationinpatent:experimentalpartLuo,Yin;Li,Yao;Qiu,Ke-Ming;Lu,Xiang;Fu,Jie;Zhu,Hai-Liang[BioorganicandMedicinalChemistry,2011,vol.19,#20,p.6069-6076]

[6]CurrentPatentAssignee:THEUNIVERSITYOFTEXASSYSTEM-WO2015/138753,2015,A1Locationinpatent:Page/Pagecolumn23

[7]CurrentPatentAssignee:NANJINGUNIVERSITY-CN103772365,2018,BLocationinpatent:Paragraph0010;0021

1010-93-1   
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethan-1-aminedihydrochloride 
 
N-2-(2-methyl-5-nitro-1H-imidazolyl)ethyl-2-(2-methyl-5-nitro-1H-imidazolyl)ethanamide 

[1]Hay;Wilson;Moselen;Palmer;Denny[JournalofMedicinalChemistry,1994,vol.37,#3,p.381-391]

[1]Mirzaei,Javad;Amini,Mohsen;Pirelahi,Hooshang;Shafiee,Abbas[JournalofHeterocyclicChemistry,2008,vol.45,#3,p.921-925]

1010-93-1   
C6H6ClN3O3 

[1]Mirzaei,Javad;Amini,Mohsen;Pirelahi,Hooshang;Shafiee,Abbas[JournalofHeterocyclicChemistry,2008,vol.45,#3,p.921-925]

[1]Mirzaei,Javad;Amini,Mohsen;Pirelahi,Hooshang;Shafiee,Abbas[JournalofHeterocyclicChemistry,2008,vol.45,#3,p.921-925]

Literature

Title: M Chacko, et al. Studies on the Possible Mutagenic Action of Metronidazole. Indian J Exp Biol. 1987 Apr;25(4):240-3.

Title: M D Mudry, et al. Mutagenic Bioassay of Certain Pharmacological Drugs: III. Metronidazole (MTZ). Mutat Res. 1994 Mar 1;305(2):127-32.

Title: In Schaechter, M.; Engleberg, N. C.; DiRita, V. J. et al. Schaechter's Mechanisms of Microbial Disease. Hagerstown, MD: Lippincott Williams & Wilkins. p. 28.

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SDS
Tags:1010-93-1 Molecular Formula|1010-93-1 MDL|1010-93-1 SMILES|1010-93-1 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)acetic acid