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1334719-95-7,MFCD28502122
Catalog No.:AA009XXF

1334719-95-7 | Q203

Pack Size
Purity
Availability
Price(USD)
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1mg
≥98%
in stock  
$72.00   $50.00
- +
5mg
≥98%
in stock  
$340.00   $238.00
- +
10mg
≥98%
in stock  
$643.00   $450.00
- +
25mg
≥98%
in stock  
$1,160.00   $812.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA009XXF
Chemical Name:
Q203
CAS Number:
1334719-95-7
Molecular Formula:
C29H28ClF3N4O2
Molecular Weight:
557.0064
MDL Number:
MFCD28502122
SMILES:
CCc1nc2n(c1C(=O)NCc1ccc(cc1)N1CCC(CC1)c1ccc(cc1)OC(F)(F)F)cc(cc2)Cl
Properties
Computed Properties
 
Complexity:
796  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
7  
XLogP3:
7.9  

Downstream Synthesis Route

[1]Kang,Sunhee;Kim,RyangYeo;Seo,MinJung;Lee,Saeyeon;Kim,YoungMi;Seo,Mooyoung;Seo,JeongJea;Ko,Yoonae;Choi,Inhee;Jang,Jichan;Nam,Jiyoun;Park,Seijin;Kang,Hwankyu;Kim,HyungJun;Kim,Jungjun;Ahn,Sujin;Pethe,Kevin;Nam,Kiyean;No,Zaesung;Kim,Jaeseung[JournalofMedicinalChemistry,2014,vol.57,#12,p.5293-5305]

[1]Kang,Sunhee;Kim,RyangYeo;Seo,MinJung;Lee,Saeyeon;Kim,YoungMi;Seo,Mooyoung;Seo,JeongJea;Ko,Yoonae;Choi,Inhee;Jang,Jichan;Nam,Jiyoun;Park,Seijin;Kang,Hwankyu;Kim,HyungJun;Kim,Jungjun;Ahn,Sujin;Pethe,Kevin;Nam,Kiyean;No,Zaesung;Kim,Jaeseung[JournalofMedicinalChemistry,2014,vol.57,#12,p.5293-5305]

[2]Chen,Yi-Hung;Graßl,Simon;Knochel,Paul[AngewandteChemie-InternationalEdition,2018,vol.57,#4,p.1108-1111]

[1]Kang,Sunhee;Kim,RyangYeo;Seo,MinJung;Lee,Saeyeon;Kim,YoungMi;Seo,Mooyoung;Seo,JeongJea;Ko,Yoonae;Choi,Inhee;Jang,Jichan;Nam,Jiyoun;Park,Seijin;Kang,Hwankyu;Kim,HyungJun;Kim,Jungjun;Ahn,Sujin;Pethe,Kevin;Nam,Kiyean;No,Zaesung;Kim,Jaeseung[JournalofMedicinalChemistry,2014,vol.57,#12,p.5293-5305]

[1]Kang,Sunhee;Kim,RyangYeo;Seo,MinJung;Lee,Saeyeon;Kim,YoungMi;Seo,Mooyoung;Seo,JeongJea;Ko,Yoonae;Choi,Inhee;Jang,Jichan;Nam,Jiyoun;Park,Seijin;Kang,Hwankyu;Kim,HyungJun;Kim,Jungjun;Ahn,Sujin;Pethe,Kevin;Nam,Kiyean;No,Zaesung;Kim,Jaeseung[JournalofMedicinalChemistry,2014,vol.57,#12,p.5293-5305]

Literature

Title: Synthesis and structure-activity relationships of novel fused ring analogues of Q203 as antitubercular agents.

Journal: European journal of medicinal chemistry 20170818

Title: Pethe K, et al. Discovery of Q203, a potent clinical candidate for the treatment of tuberculosis. Nat Med. 2013 Sep;19(9):1157-60.

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