| Synonyms |
2'-[(11S,14Z,21S,28S)-14-ethylidene-9,10,11,12,13,14,20,21,27,28-decahydro-28-[(1R)-1-hydroxyethyl]-11-[(1R)-1-hydroxyethyl]-21-(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; 13',19'-Didehydro-19'-deoxy-28,44-dihydro-44-hydroxymicrococcin P |
| IUPAC Name |
2-[2-[(12S,19S,26Z,29S)-26-ethylidene-12,29-bis[(1R)-1-hydroxyethyl]-14,21,28,31-tetraoxo-19-propan-2-yl-10,17,24,34-tetrathia-6,13,20,27,30,35,36,37,38-nonazahexacyclo[30.2.1.18,11.115,18.122,25.02,7]octatriaconta-1(35),2(7),3,5,8,11(38),15,18(37),22,25(36),32-undecaen-5-yl]-1,3-thiazol-4-yl]-N-[(Z)-1-[[(2R)-2-hydroxypropyl]amino]-1-oxobut-2-en-2-yl]-1,3-thiazole-4-carboxamide |
| Molecular Weight |
1144.37 |
| Molecular Formula |
C48H49N13O9S6 |
| Canonical SMILES |
CC=C1C2=NC(=CS2)C(=O)NC(C3=NC(=CS3)C(=O)NC(C4=NC(=CS4)C5=C(C=CC(=N5)C6=NC(=CS6)C7=NC(=CS7)C(=O)NC(=CC)C(=O)NCC(C)O)C8=NC(=CS8)C(=O)NC(C(=O)N1)C(C)O)C(C)O)C(C)C |
| InChI |
InChI=1S/C48H49N13O9S6/c1-8-24(37(65)49-12-20(5)62)51-38(66)28-15-73-46(56-28)32-18-74-45(58-32)26-11-10-23-36(50-26)27-13-75-48(53-27)35(22(7)64)61-41(69)31-17-76-47(57-31)33(19(3)4)59-39(67)30-16-72-44(55-30)25(9-2)52-42(70)34(21(6)63)60-40(68)29-14-71-43(23)54-29/h8-11,13-22,33-35,62-64H,12H2,1-7H3,(H,49,65)(H,51,66)(H,52,70)(H,59,67)(H,60,68)(H,61,69)/b24-8-,25-9-/t20-,21-,22-,33+,34+,35+/m1/s1 |
| InChIKey |
MQGFYNRGFWXAKA-QMXXNAFJSA-N |
| Melting Point |
252°C (dec.) |
| Purity |
>95% by HPLC |
| Density |
1.4±0.1 g/cm3 |
| Solubility |
Soluble in Ethanol, Methanol, DMF, DMSO |
| Appearance |
Off-white to Light Fawn |
| Storage |
Store at -20°C |
| Complexity |
2180 |
| Exact Mass |
1143.21004723 |
| In Vitro |
Dose-response assays reveales Micrococcin P1 to be very potent with a minimal inhibitory concentration (MIC) of 32-63 nM. Cytotoxicity assays reveales no significant impairment on cell line growth (<10% inhibition at 30 mM) over a 40 h period for both the hepatic cell line HepG2 and the monocytic cell line THP-1, leading to a selectivity index greater than 500. Also investigats the intracellular activity of Micrococcin P1, it is active against GFP-expressing M. tuberculosis H37Rv growing inside RAW 264.7 macrophages with an IC80 of about 1 mM with potency comparable with that of isoniazid. |
| PSA |
494.96000 |
| Target |
Bacterial; Parasite; HCV |
| XLogP3-AA |
4.6 |
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