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36097-48-0,MFCD00237490
Catalog No.:AA007BBD

36097-48-0 | (S)-Methyl 2-acetamido-3-(1H-imidazol-4-yl)propanoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
2 weeks  
$76.00   $53.00
- +
250mg
95%
2 weeks  
$157.00   $110.00
- +
1g
95%
2 weeks  
$471.00   $330.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA007BBD
Chemical Name:
(S)-Methyl 2-acetamido-3-(1H-imidazol-4-yl)propanoate
CAS Number:
36097-48-0
Molecular Formula:
C9H13N3O3
Molecular Weight:
211.2178
MDL Number:
MFCD00237490
SMILES:
COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)C
Properties
Computed Properties
 
Complexity:
245  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
-0.4  

Downstream Synthesis Route

[1]Bambal;Hanzlik[JournalofOrganicChemistry,1994,vol.59,#4,p.729-732]

[1]Cerezo,Vanessa;Afonso,Ana;Planas,Marta;Feliu,Lidia[Tetrahedron,2007,vol.63,#42,p.10445-10453]

[2]Schädel,Nicole;Icik,Esra;Martini,Maike;Altevogt,Luca;Ramming,Isabell;Greulich,Andreas;Baro,Angelika;Bilitewski,Ursula;Laschat,Sabine[Synthesis,2021,vol.53,#13,p.2260-2268]

[3]Giralt,Ernest;Viladrich,Roser;Pedroso,Enrique[OrganicMagneticResonance,1983,vol.21,#3,p.208-213]

[4]Goto,Koichi;Yano,Yoshihiro;Okada,Eiji;Liu,Chin-Wen;Yamamoto,Kiyoto;Ueoka,Ryuichi[JournalofOrganicChemistry,2003,vol.68,#3,p.865-870]

[5]Goto,Koichi;Yano,Yoshihiro;Okada,Eiji;Liu,Chin-Wen;Yamamoto,Kiyoto;Ueoka,Ryuichi[JournalofOrganicChemistry,2003,vol.68,#3,p.865-870]

591-50-4    36097-48-0   
Nα-acetyl-Nτ-phenyl-L-histidinemethylester 

[1]Yue,Weimin;Lewis,StefanieI.;Koen,YakovM.;Hanzlik,RobertP.[BioorganicandMedicinalChemistryLetters,2004,vol.14,#7,p.1637-1640]

637-87-6    36097-48-0   
Nα-acetyl-Nτ-(p-chlorophenyl)-L-histidinemethylester 

[1]Yue,Weimin;Lewis,StefanieI.;Koen,YakovM.;Hanzlik,RobertP.[BioorganicandMedicinalChemistryLetters,2004,vol.14,#7,p.1637-1640]

591-18-4    36097-48-0   
Nα-acetyl-Nτ-(m-iodophenyl)-L-histidine 
 
Nα-acetyl-Nτ-(m-bromophenyl)-L-histidine 

[1]Yue,Weimin;Lewis,StefanieI.;Koen,YakovM.;Hanzlik,RobertP.[BioorganicandMedicinalChemistryLetters,2004,vol.14,#7,p.1637-1640]

Literature

Title: Synthesis of allylic hydroperoxides and EPR spin-trapping studies on the formation of radicals in iron systems as potential initiators of the sensitizing pathway.

Journal: The Journal of organic chemistry 20110805

Title: Myocardial protection with the use of L-arginine and N-alpha-acetyl-histidine.

Journal: Transplantation proceedings 20090101

Title: Kinetic analysis of the role of histidine chloramines in hypochlorous acid mediated protein oxidation.

Journal: Biochemistry 20050517

Title: Synthesis of N tau-arylhistidine derivatives via direct N-arylation.

Journal: Bioorganic & medicinal chemistry letters 20040405

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Tags:36097-48-0 Molecular Formula|36097-48-0 MDL|36097-48-0 SMILES|36097-48-0 (S)-Methyl 2-acetamido-3-(1H-imidazol-4-yl)propanoate