I3-AG85
Inhibitor of Ag85C activity specific blockade of TDM synthesis and dose-dependent inhibition of M. tuberculosis division in broth culture
General
Type : Cyanide, Sulfur Compound, Thiophen
Chemical_Nomenclature : 2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Canonical SMILES : CCCC1CCC2=C(C1)SC(=C2C#N)N
InChI : InChI=1S\/C12H16N2S\/c1-2-3-8-4-5-9-10(7-13)12(14)15-11(9)6-8\/h8H,2-6,14H2,1H3
InChIKey : CMJOQDLSCOMRQU-UHFFFAOYSA-N
Other name(s) : ST50944884 || 2-amino-6-propyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile || CBMicro_031387 || AC1MF18J
MW : 220.33
Formula : C12H16N2S
CAS_number : 350996-91-7
PubChem : 2887397
UniChem : CMJOQDLSCOMRQU-UHFFFAOYSA-N
Target
Families : I3-AG85 ligand of proteins in family
A85-Mycolyl-transferase
Protein :
myctu-a85c
References (2)
| Title : Antigen 85C inhibition restricts Mycobacterium tuberculosis growth through disruption of cord factor biosynthesis - Warrier_2012_Antimicrob.Agents.Chemother_56_1735 |
| Author(s) : Warrier T , Tropis M , Werngren J , Diehl A , Gengenbacher M , Schlegel B , Schade M , Oschkinat H , Daffe M , Hoffner S , Eddine AN , Kaufmann SH |
| Ref : Antimicrobial Agents & Chemotherapy , 56 :1735 , 2012 |
| Abstract : |
| PubMedSearch : Warrier_2012_Antimicrob.Agents.Chemother_56_1735 |
| PubMedID: 22290959 |
| Title : Novel small molecule inhibitors of MDR Mycobacterium tuberculosis by NMR fragment screening of antigen 85C - Scheich_2010_J.Med.Chem_53_8362 |
| Author(s) : Scheich C , Puetter V , Schade M |
| Ref : Journal of Medicinal Chemistry , 53 :8362 , 2010 |
| Abstract : |
| PubMedSearch : Scheich_2010_J.Med.Chem_53_8362 |
| PubMedID: 21073150 |