97816-62-1
Chemical Structure
Emestrin
- CAS No.: 97816-62-1
- Formula:C27H22N2O10S2
- Molecular Weight:598.60
IUPAC Name: 111,34,2-trihydroxy-56-methoxy-12-methyl-11,12,13,14,15a,16-hexahydro-111H-4,7-dioxa-1(3,6)-3,11a-epidithiooxepino[3',4':4,5]pyrrolo[1,2-a]pyrazina-3,5(1,3)-dibenzenacycloheptaphane-11,14,6-trione
InChIKey: UWWYWUMDYAWTKK-YITDFDIYSA-N
SMILES: COC(C(OC1=C(O)C=CC2=C1)=C3)=CC=C3C(O[C@H]4C=COC=C([C@]54[H])[C@@H](O)[C@@](N5C([C@]6([C@H]2O)N7C)=O)(SS6)C7=O)=O
Biological Activity: Emestrin is a mycotoxin originally isolated from E. striata that has antimicrobial, immunomodulatory, and cytotoxic activities. It is active against the fungi C. albicans and C. neoformans, as well as the bacteria E. coli, S. aureus, and methicillin-resistant S. aureus (MRSA; IC50s=3.94, 0.6, 2.21, 4.55, and 2.21 μg/mL, respectively).2 Emestrin is a chemokine (C-C motif) receptor 2 (CCR2) antagonist (IC50=5.4 μM in a radioligand binding assay using isolated human monocytes).3 Emestrin (0.1 μg/mL) induces apoptosis in HL-60 cells. It induces heart, thymus, and liver tissue necrosis in mice when administered at doses ranging from 18 to 30 mg/kg.
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Emestrin | Emestrin is a mycotoxin originally isolated from E. striata that has antimicrobial, immunomodulatory, and cytotoxic activities. It is active against the fungi C. albicans and C. neoformans, as well as the bacteria E. coli, S. aureus, and methicillin-resistant S. aureus (MRSA; IC50s=3.94, 0.6, 2.21, 4.55, and 2.21 μg/mL, respectively).2 Emestrin is a chemokine (C-C motif) receptor 2 (CCR2) antagonist (IC50=5.4 μM in a radioligand binding assay using isolated human monocytes).3 Emestrin (0.1 μg/mL) induces apoptosis in HL-60 cells. It induces heart, thymus, and liver tissue necrosis in mice when administered at doses ranging from 18 to 30 mg/kg. | |||||||||||||||||||||
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