Psammaplin A | CAS 110659-91-1 | AnyMole

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HIT214321069

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HIT214321069

HIT ID:HIT214321069
Cas No:110659-91-1
常用名:Psammaplin A
IUPAC:(2E)-3-(3-bromo-4-hydroxyphenyl)-N-[2-({2-[(2E)-3-(3-bromo-4-hydroxyphenyl)-2-(N-hydroxyimino)propanamido]ethyl}disulfanyl)ethyl]-2-(N-hydroxyimino)propanamide
IUPAC:(2E)-3-(3-bromo-4-hydroxyphenyl)-N-[2-({2-[(2E)-3-(3-bromo-4-hydroxyphenyl)-2-(N-hydroxyimino)propanamido]ethyl}disulfanyl)ethyl]-2-(N-hydroxyimino)propanamide
InChI key:LMAFSGDNHVBIHU-XUIWWLCJSA-N

分子式:C22H24Br2N4O6S2
分子量:664.38
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:O\N=C(/Cc1ccc(O)c(Br)c1)C(=O)NCCSSCCNC(=O)C(\Cc1ccc(O)c(Br)c1)=N\O
SMILES:O\N=C(/Cc1ccc(O)c(Br)c1)C(=O)NCCSSCCNC(=O)C(\Cc1ccc(O)c(Br)c1)=N\O

Psammaplin A, a marine metabolite, functions as a robust inhibitor of HDAC and DNA methyltransferases, displaying notable potency and selectivity as a DAC1 inhibitor, with an IC50 value of 0.9 nM. It exhibits antimicrobial effects against Gram-positive bacteria and inhibits both DNA synthesis and DNA gyrase activity, also demonstrating antitumor activity[1][2].

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