Thiocillin I

Thiocillin I is an antibiotic originally isolated from Bacillus that has activity against Gram-positive, but not Gram-negative, bacteria. It inhibits the growth of B. subtilis, B. anthracis, S. aureus, S. pyogenes, and S. pneumoniae strains in vitro (MICs = 0.2-3.13 µg/ml). Thiocillin I exhibits antibiotic activity in a mouse model of S. pyogenes infection (ED50 = 2.91 mg/kg).Formal Name: 2'-[(11S,14Z,21S,28S)-14-ethylidene-9,10,11,12,13,14,20,21,27,28-decahydro-11,28-bis[(1R)-1-hydroxyethyl]-21-(1-hydroxy-1-methylethyl)-9,12,19,26-tetraoxo-19H,26H-8,5:18,15:25,22:32,29-tetranitrilo-5H,15H-pyrido[3,2-m][1,11,17,24,4,7,20,27]tetrathiatetraazacyclotriacontin-2-yl]-N-[(1Z)-1-[[[(2R)-2-hydroxypropyl]amino]carbonyl]-1-propen-1-yl]-[2,4'-bithiazole]-4-carboxamide. CAS Number: 59979-01-0. Synonyms: 44-O-Demethylthiocillin II. Molecular Formula: C48H49N13O10S6. Formula Weight: 1160.4. Purity: >95%. Formulation: (Request formulation change), A solid. Solubility: DMF: soluble, DMSO: soluble, Ethanol: soluble, Methanol: soluble. SMILES: O=C(C1=CSC(C2=CSC(C3=NC(C4=CSC([C@H]([C@H](O)C)NC(C5=CSC6=N5)=O)=N4)=C(C7=NC(C(N[C@]([C@H](O)C)([H])C(N/C(C8=NC(C(N[C@H]6C(C)(O)C)=O)=CS8)=C\C)=O)=O)=CS7)C=C3)=N2)=N1)N/C(C(NC[C@H](O)C)=O)=C\C. InChi Code: InChI=1S/C48H49N13O10S6/c1-8-23(36(65)49-12-19(3)62)51-37(66)27-15-74-45(56-27)31-18-75-44(58-31)25-11-10-22-34(50-25)26-13-76-46(53-26)33(21(5)64)60-39(68)29-17-77-47(57-29)35(48(6,7)71)61-40(69)30-16-73-43(55-30)24(9-2)52-41(70)32(20(4)63)59-38(67)28-14-72-42(22)54-28/h8-11,13-21,32-33,35,62-64,71H,12H2,1-7H3,(H,49,65)(H,51,66)(H,52,70)(H,59,67)(H,60,68)(H,61,69)/b23-8-,24-9-/t19-,20-,21-,32+,33+,35-/m1/s1. InChi Key: FEORQDDAQBRWPT-RJFXJIJJSA-N. Origin: Bacterium/Bacillus sp..