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61471-45-2,MFCD02656610
Catalog No.:AA00EARG

61471-45-2 | 3-(1H-Pyrrol-1-yl)benzoic acid

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100mg
98%(HPLC)
in stock  
$34.00   $24.00
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1g
97%
in stock  
$70.00   $49.00
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5g
97%
in stock  
$201.00   $141.00
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25g
97%
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$874.00   $612.00
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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:
AA00EARG
Chemical Name:
3-(1H-Pyrrol-1-yl)benzoic acid
CAS Number:
61471-45-2
Molecular Formula:
C11H9NO2
Molecular Weight:
187.1947
MDL Number:
MFCD02656610
SMILES:
OC(=O)c1cccc(c1)n1cccc1
Properties
Properties
 
BP:
376.6°C at 760 mmHg  
Form:
Solid  
MP:
180 °C  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
211  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
2.6  

Downstream Synthesis Route

[1]Tanaka,Akira;Terasawa,Takeshi;Hagihara,Hiroyuki;Sakuma,Yuri;Ishibe,Noriko;Sawada,Masae;Takasugi,Hisashi;Tanaka,Hirokazu[JournalofMedicinalChemistry,1998,vol.41,#13,p.2390-2410]

61471-45-2    264264-53-1   
trans-3-(2-(4-((3-(N-pyrrolyl)phenyl)carboxamido)cyclohexyl)ethyl)-7-methylsulfonyloxy-2,3,4,5-tetrahydro-1H-3-benzazepine 

[1]Macdonald,GregorJ.;Branch,CliveL.;Hadley,MichaelS.;Johnson,ChristopherN.;Nash,DavidJ.;Smith,AlexanderB.;Stemp,Geoffrey;Thewlis,KevinM.;Vong,AntonioK.K.;Austin,NigelE.;Jeffrey,Phillip;Winborn,KimY.;Boyfield,Izzy;Hagan,JimJ.;Middlemiss,DerekN.;Reavill,Charlie;Riley,GrahamJ.;Watson,JeannetteM.;Wood,Martyn;Parker,SteveG.;AshbyJr.,CharlesR.[JournalofMedicinalChemistry,2003,vol.46,#23,p.4952-4964]

942419-56-9    61471-45-2   
C27H23N7O2 

[1]Hodous,BrianL.;Geuns-Meyer,StephanieD.;Hughes,PaulE.;Albrecht,BrianK.;Bellon,Steve;Caenepeel,Sean;Cee,VictorJ.;Chaffee,StuartC.;Emery,Maurice;Fretland,Jenne;Gallant,Paul;Gu,Yan;Johnson,RebeccaE.;Kim,JosephL.;Long,AlexanderM.;Morrison,Michael;Olivieri,PhilipR.;Patel,VinodF.;Polverino,Anthony;Rose,Paul;Wang,Ling;Zhao,Huilin[BioorganicandMedicinalChemistryLetters,2007,vol.17,#10,p.2886-2889]

[1]Tanaka,Akira;Terasawa,Takeshi;Hagihara,Hiroyuki;Sakuma,Yuri;Ishibe,Noriko;Sawada,Masae;Takasugi,Hisashi;Tanaka,Hirokazu[JournalofMedicinalChemistry,1998,vol.41,#13,p.2390-2410]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Design, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41.

Journal: Journal of medicinal chemistry 20081225

Title: Molecular modeling studies of N-substituted pyrrole derivatives--potential HIV-1 gp41 inhibitors.

Journal: Bioorganic & medicinal chemistry 20080315

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