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23249-97-0,MFCD00041215
Catalog No.:AA002MLH

23249-97-0 | 3-(1H-Benzimidazol-2-yl)propanoic acid

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Purity
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Price(USD)
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1g
98%
in stock  
$31.00   $22.00
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5g
98%
in stock  
$93.00   $65.00
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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:
AA002MLH
Chemical Name:
3-(1H-Benzimidazol-2-yl)propanoic acid
CAS Number:
23249-97-0
Molecular Formula:
C10H10N2O2
Molecular Weight:
190.1986
MDL Number:
MFCD00041215
SMILES:
OC(=O)CCc1nc2c([nH]1)cccc2
Properties
Computed Properties
 
Complexity:
220  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
1.1  

Downstream Synthesis Route

[1]CurrentPatentAssignee:SHENYANGPHARMACEUTICALUNIVERSITY-CN107118249,2017,ALocationinpatent:Paragraph0080;0081;0082

[2]Li,Kun;Ma,Tianyi;Cai,Jingjing;Huang,Min;Guo,Hongye;Zhou,Di;Luan,Shenglin;Yang,Jinyu;Liu,Dan;Jing,Yongkui;Zhao,Linxiang[BioorganicandMedicinalChemistry,2017,vol.25,#20,p.5441-5451]

[3]Meyer,R.;Maier,J.[JustusLiebigsAnnalenderChemie,1903,vol.327,p.41]

[4]Chatterjee[JournaloftheChemicalSociety,1929,p.2967]

[5]Glotz[BulletindelaSocieteChimiquedeFrance,1936,vol.<5>3,p.511,512]

[6]Anderlini[GazzettaChimicaItaliana,1894,vol.24I,p.142]

[7]Ma,Tianyi;Huang,Min;Li,Aihua;Zhao,Feng;Li,Deyi;Liu,Dan;Zhao,Linxiang[BioorganicandMedicinalChemistryLetters,2019,vol.29,#14,p.1859-1863]

[1]Gunes;Cosar[Arzneimittel-Forschung/DrugResearch,1992,vol.42,#8,p.1045-1048]

[2]Meyer,R.;Lueders[JustusLiebigsAnnalenderChemie,1918,vol.415,p.31,32]

[3]Meyer,R.;Lueders[JustusLiebigsAnnalenderChemie,1918,vol.415,p.31,32]

[1]Bastug,Gulluzar;Eviolitte,Christophe;Markó,IstvánE.[OrganicLetters,2012,vol.14,#13,p.3502-3505]

[2]Meyer,R.;Lueders[JustusLiebigsAnnalenderChemie,1918,vol.415,p.31,32]

[3]Betrabet;Chakravarti[JournaloftheIndianChemicalSociety,1930,vol.7,p.191,197]

[1]Betrabet;Chakravarti[JournaloftheIndianChemicalSociety,1930,vol.7,p.191,197]

[2]Lan,Ping;Romero,F.Anthony;Wodka,Dariusz;Kassick,AndrewJ.;Dang,Qun;Gibson,Tony;Cashion,Daniel;Zhou,Gaochao;Chen,Yuli;Zhang,Xiaoping;Zhang,Aihua;Li,Ying;Trujillo,MariaE.;Shao,Qing;Wu,Margaret;Xu,Shiyao;He,Huaibing;Mackenna,Deidre;Staunton,Jocelyn;Chapman,KevinT.;Weber,Ann;Sebhat,IyassuK.;Makara,GergelyM.[JournalofMedicinalChemistry,2017,vol.60,#21,p.9040-9052]

[1]Gunes;Cosar[Arzneimittel-Forschung/DrugResearch,1992,vol.42,#8,p.1045-1048]

[2]Tewari,AshishKumar;Mishra,Anil[IndianJournalofChemistry-SectionBOrganicandMedicinalChemistry,2006,vol.45,#2,p.489-493]

[3]Yao,Min-Xia;Zeng,Ming-Hua;Zou,Hua-Hong;Zhou,Yan-Ling;Liang,Hong[DaltonTransactions,2008,#18,p.2428-2432]

[4]Meyer,R.;Maier,J.[JustusLiebigsAnnalenderChemie,1903,vol.327,p.41]

[5]Algul,Oztekin;Ersan,RonakHaj;Alagoz,MehmetAbdullah;Duran,Nizami;Burmaoglu,Serdar[JournalofBiomolecularStructureandDynamics,2021,vol.39,#18,p.6926-6938]

Literature

Title: Identification of novel inhibitors for a low molecular weight protein tyrosine phosphatase via virtual screening.

Journal: Bioorganic & medicinal chemistry 20100715

Title: Structure-guided design of alpha-amino acid-derived Pin1 inhibitors.

Journal: Bioorganic & medicinal chemistry letters 20100115

Title: 3-(Benzimidazolium-2-yl)propionate dihydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20081101

Title: A. ROMASANTA, et al. Antibody-mediated response in dogs experimentally infected with Toxocara canis: effect of procodazole. HELMINTHOLOGIA, 41, 1:3-7, 2004.

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Tags:23249-97-0 Molecular Formula|23249-97-0 MDL|23249-97-0 SMILES|23249-97-0 3-(1H-Benzimidazol-2-yl)propanoic acid |Heterocyclic_Building_Blocks