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31434-93-2,MFCD04039607
Catalog No.:AA00C0KO

31434-93-2 | Methyl 3-(1h-imidazol-4-yl)propanoate

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Purity
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Price(USD)
Quantity
  
100mg
95%
in stock  
$114.00   $80.00
- +
250mg
95%
in stock  
$195.00   $136.00
- +
500mg
95%
in stock  
$384.00   $269.00
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1g
95%
in stock  
$538.00   $377.00
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2g
95%
in stock  
$1,074.00   $752.00
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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:
AA00C0KO
Chemical Name:
Methyl 3-(1h-imidazol-4-yl)propanoate
CAS Number:
31434-93-2
Molecular Formula:
C7H11ClN2O2
Molecular Weight:
190.6274
MDL Number:
MFCD04039607
SMILES:
COC(=O)CCc1c[nH]cn1.Cl
Properties
Computed Properties
 
Complexity:
138  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
0.2  

Downstream Synthesis Route

[1]Browne,L.J.;Gude,C.;Rodriguez,H.;Steele,R.E.[JournalofMedicinalChemistry,1991,vol.34,#2,p.725-736]

[2]CurrentPatentAssignee:ELDRUG-EP2162441,2016,B1Locationinpatent:Paragraph0204;0207;0210;0212

[3]CurrentPatentAssignee:MAASTRICHTUNIVERSITY;NETHERLANDSORGANISATIONFORSCIENTIFICRESEARCH;EINDHOVENUNIVERSITYOFTECHNOLOGY-EP2095819,2009,A1Locationinpatent:Page/Pagecolumn6-7

[4]Locationinpatent:experimentalpartAgelis,George;Resvani,Amalia;Matsoukas,Minos-Timotheos;Tselios,Theodore;Kelaidonis,Konstantinos;Kalavrizioti,Dimitra;Vlahakos,Demetrios;Matsoukas,John[AminoAcids,2011,vol.40,#2,p.411-420]

[5]Ankersen,Michael;Crider,Michael;Liu,Shengquan;Ho,Bin;Andersen,HenrikS.;Stidsen,Carsten[JournaloftheAmericanChemicalSociety,1998,vol.120,#7,p.1368-1373]

[6]Jung,GraceL.;Anderson,PaulC.;Bailey,Murray;Baillet,Monique;Bantle,GaryW.;Berthiaume,Sylvie;Lavallee,Pierre;Llinas-Brunet,Montse;Thavonekham,Bounkham;Thibeault,Diane;Simoneau,Bruno[BioorganicandMedicinalChemistry,1998,vol.6,#12,p.2317-2336]

[7]CurrentPatentAssignee:MERCK&COINC-US5968965,1999,A

[8]CurrentPatentAssignee:MERCK&COINC-US6066738,2000,A

[9]Locationinpatent:schemeortableGhorai,Prasanta;Kraus,Anja;Keller,Max;Götte,Carsten;Igel,Patrick;Schneider,Erich;Schnell,David;Bernhardt,Günther;Dove,Stefan;Zabel,Manfred;Elz,Sigurd;Seifert,Roland;Buschauer,Armin[JournalofMedicinalChemistry,2008,vol.51,#22,p.7193-7204]

31434-93-2    42191-55-9   
3-(4-Fluoro-benzyl)-5-2-(1H-imidazol-4-yl)-ethyl-1,2,4oxadiazole 

[1]Clitherow;Beswick;Irving;Scopes;Barnes;Clapham;Brown;Evans;Hayes[BioorganicandMedicinalChemistryLetters,1996,vol.6,#7,p.833-838]

[1]Gupta,Preeti;Hameed,Shahul;Jain,Rahul[EuropeanJournalofMedicinalChemistry,2004,vol.39,#9,p.805-814]

[2]Sugii;Ogawa;Kawanishi;Umeda;Sato[ChemicalandPharmaceuticalBulletin,1987,vol.35,#12,p.5000-5003]

[3]Iizuka;Akahane;Momose;Nakazawa;Tanouchi;Kawamura;Ohyama;Kajiwara;Iguchi;Okada;Taniguchi;Miyamoto;Hayashi[JournalofMedicinalChemistry,1981,vol.24,#10,p.1139-1148]

[4]CurrentPatentAssignee:OTSUKAHOLDINGSCOLTD;GLAXOSMITHKLINEPLC-WO2015/92713,2015,A1

[5]CurrentPatentAssignee:ELDRUG-EP2162441,2016,B1

[6]Xu,Yi-xiang;Wang,Huan;Li,Xiao-kang;Dong,Sheng-nan;Liu,Wen-wen;Gong,Qi;Wang,Tian-duan-yi;Tang,Yun;Zhu,Jin;Li,Jian;Zhang,Hai-yan;Mao,Fei[EuropeanJournalofMedicinalChemistry,2018,vol.143,p.33-47]

[7]CurrentPatentAssignee:SANOFI-US2004/19058,2004,A1

[1]Patent:US2003/220341,2003,A1.Locationinpatent:Page/Pagecolumn36-37

[2]Patent:WO2004/50636,2004,A2.Locationinpatent:Page106

[1]Patent:EP2162441,2016,B1.Locationinpatent:Paragraph0204;0206;0210;0212

[2]EuropeanJournalofMedicinalChemistry,2018,vol.143,p.33-47

[3]Patent:WO2015/92713,2015,A1.Locationinpatent:Page/Pagecolumn414;415

[4]Patent:US5968965,1999,A

[5]Patent:US6066738,2000,A

[6]Patent:US6001835,1999,A

Literature

Title: Structure based design of novel inhibitors for histidinol dehydrogenase from Geotrichum candidum.

Journal: Bioorganic & medicinal chemistry letters 20100701

Title: Ring-substituted imidazoles as a new class of anti-tuberculosis agents.

Journal: European journal of medicinal chemistry 20040901

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SDS
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