Name: 2,3-Dehydro-3,4-dihydro ivermectin
Rating: 5 (10 reviews)

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HIT ID:HIT214322247
Cas No:1135339-49-9
常用名:2,3-Dehydro-3,4-dihydro ivermectin
常用名:2,3-Dehydro-3,4-dihydro ivermectin
IUPAC:(2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,22'S,24'R)-6-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-1'(23'),10',14',16'-tetraen-2'-one
IUPAC:(2R,4'S,5S,6R,8'R,10'Z,12'S,13'S,14'Z,20'R,21'R,22'S,24'R)-6-[(2S)-butan-2-yl]-21',24'-dihydroxy-12'-{[(2R,4S,5S,6S)-5-{[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-4-methoxy-6-methyloxan-2-yl]oxy}-5,11',13',22'-tetramethyl-3',7',19'-trioxaspiro[oxane-2,6'-tetracyclo[15.6.1.1^{4,8}.0^{20,24}]pentacosane]-1'(23'),10',14',16'-tetraen-2'-one
InChI key:AZSRBVAPBFWEGT-SZAVLSPISA-N

分子式:C48H74O14
分子量:875.106
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12OCC3=C\C=C/[C@H](C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)\C(C)=C/C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@]([H])(O5)[C@@H](C)CC)O4)OC(=O)C(=C[C@H](C)[C@H]1O)[C@@]23O |c:6,35,t:62|
SMILES:[H][C@@]12OCC3=C\C=C/[C@H](C)[C@H](O[C@H]4C[C@H](OC)[C@@H](O[C@H]5C[C@H](OC)[C@@H](O)[C@H](C)O5)[C@H](C)O4)\C(C)=C/C[C@]4([H])C[C@@]([H])(C[C@]5(CC[C@H](C)[C@]([H])(O5)[C@@H](C)CC)O4)OC(=O)C(=C[C@H](C)[C@H]1O)[C@@]23O |c:6,35,t:62|

2,3-Dehydro-3,4-dihydro ivermectin is an analog of ivermectin and an anthelmintic. 2,3-Dehydro-3,4-dihydro ivermectin has activity against L. amazonensis promastigotes and amastigotes ( IC 50 s=13.8 and 3.6 μM, respectively) without inducing cytotoxicity to macrophages ( IC 50 = 65.5 μM).

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