Name: AN11251
Rating: 5 (10 reviews)

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HIT ID:HIT212669336
Cas No:2130750-59-1
常用名:AN11251
IUPAC:(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.0^{1,8}]tetradecan-6-yl 2-[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetate
IUPAC:(1S,2R,3S,4S,6R,7R,8R,14R)-4-ethenyl-3-hydroxy-2,4,7,14-tetramethyl-9-oxotricyclo[5.4.3.0^{1,8}]tetradecan-6-yl 2-[(7-fluoro-1-hydroxy-1,3-dihydro-2,1-benzoxaborol-6-yl)oxy]acetate
InChI key:WQVDRQUAJNEZSV-PTUZOVCBSA-N

分子式:C29H38BFO7
分子量:528.42
氢键供体数 (HBD):2
氢键受体数 (HBA):6
LogP:5.5697
SMILES:[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)COc1ccc2COB(O)c2c1F
SMILES:[H][C@@]12C(=O)CC[C@]11CC[C@@H](C)[C@@]2(C)[C@@H](C[C@@](C)(C=C)[C@@H](O)[C@@H]1C)OC(=O)COc1ccc2COB(O)c2c1F

AN11251, a potent oral-active anti-Wolbachia agent, shows promise for treating onchocerciasis and lymphatic filariasis. Demonstrating EC50 values of 1.5 nM in LDW1 cell lines and 15 nM in C6/36 cell lines, it exhibits significant efficacy across different laboratory settings.

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