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71987-67-2,MFCD02664389
Catalog No.:AA005O5Q

71987-67-2 | (5-Fluoro-2-methyl-1H-indol-3-yl)acetic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$15.00   $11.00
- +
250mg
95%
in stock  
$32.00   $22.00
- +
1g
95%
in stock  
$125.00   $88.00
- +
5g
95%
in stock  
$394.00   $276.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005O5Q
Chemical Name:
(5-Fluoro-2-methyl-1H-indol-3-yl)acetic acid
CAS Number:
71987-67-2
Molecular Formula:
C11H10FNO2
Molecular Weight:
207.2010
MDL Number:
MFCD02664389
SMILES:
Cc1c(CC(=O)O)c2c([nH]1)ccc(c2)F
Properties
Properties
 
Form:
Solid  
MP:
179-182℃(Solv: acetonitrile (75-05-8))  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
259  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
2  

Downstream Synthesis Route
504-24-5    71987-67-2   
2-(5-fluoro-2-methyl-1<i>H</i>-indol-3-yl)-<i>N</i>-pyridin-4-yl-acetamide 

[1]Menciu,Cecilia;Duflos,Muriel;Fouchard,Fabienne;LeBaut,Guillaume;Emig,Peter;Achterrath,Ute;Szelenyi,Istvan;Nickel,Bernd;Schmidt,Jürgen;Kutscher,Bernhard;Günther,Eckhardt[JournalofMedicinalChemistry,1999,vol.42,#4,p.638-648]

[1]Ji,Jing;Li,Jiaojiao;Li,Zhengfu;Xu,Ruibo[MedChemComm,2019,vol.10,#11,p.1935-1947]

[2]Menciu,Cecilia;Duflos,Muriel;Fouchard,Fabienne;LeBaut,Guillaume;Emig,Peter;Achterrath,Ute;Szelenyi,Istvan;Nickel,Bernd;Schmidt,Jürgen;Kutscher,Bernhard;Günther,Eckhardt[JournalofMedicinalChemistry,1999,vol.42,#4,p.638-648]

[3]CurrentPatentAssignee:GruenenthalPharmaGmbH&Co.Kommanditgesellschaft-WO2004/43899,2004,A1Locationinpatent:Page41;42

71987-67-2   
(+/-)-(3S,3aR,6aS)-1-acetyl-3-methylhexahydropyrrolo3,2-bpyrrol-2-onehydrochloride 
 
(+/-)-(3S,3aR,6aS)-1-acetyl-4-2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl-3-methylhexahydropyrrolo3,2-bpyrrol-2-one 

[1]Borthwick;Crame;Ertl;Exall;Haley;Hart;Mason;Pennell;Singh;Weingarten;Woolven[JournalofMedicinalChemistry,2002,vol.45,#1,p.1-18]

4-(4-fluoro-phenyl)-hydrazono-pentanoicacid 
  71987-67-2 

[1]Rossiter,Sharon;Folkes,LisaK.;Wardman,Peter[BioorganicandMedicinalChemistryLetters,2002,vol.12,#18,p.2523-2526]

[1]Rossiter,Sharon;Folkes,LisaK.;Wardman,Peter[BioorganicandMedicinalChemistryLetters,2002,vol.12,#18,p.2523-2526]

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: Halogenated indole-3-acetic acids as oxidatively activated prodrugs with potential for targeted cancer therapy.

Journal: Bioorganic & medicinal chemistry letters 20020916

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Tags:71987-67-2 Molecular Formula|71987-67-2 MDL|71987-67-2 SMILES|71987-67-2 (5-Fluoro-2-methyl-1H-indol-3-yl)acetic acid