Name: Ingenol disoxate
Rating: 5 (10 reviews)

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HIT ID:HIT212716426
Cas No:1383547-60-1
常用名:Ingenol disoxate
别名:LEO-43204, LEO43204, LEO 43204
IUPAC:(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0^{1,5}.0^{10,12}]pentadeca-2,7-dien-4-yl 3,5-diethyl-1,2-oxazole-4-carboxylate
IUPAC:(1S,4S,5S,6R,9S,10R,12R,14R)-5,6-dihydroxy-7-(hydroxymethyl)-3,11,11,14-tetramethyl-15-oxotetracyclo[7.5.1.0^{1,5}.0^{10,12}]pentadeca-2,7-dien-4-yl 3,5-diethyl-1,2-oxazole-4-carboxylate
InChI key:GLIUZQUNUNICGS-XUBYYPQFSA-N

分子式:C28H37NO7
分子量:499.604
氢键供体数 (HBD):3
氢键受体数 (HBA):6
LogP:2.706503
SMILES:[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5c(CC)noc5CC)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |c:30,t:6|
SMILES:[H][C@@]12C[C@@H](C)[C@]34C=C(C)[C@H](OC(=O)c5c(CC)noc5CC)[C@@]3(O)[C@H](O)C(CO)=C[C@]([H])(C4=O)[C@]1([H])C2(C)C |c:30,t:6|

Ingenol disoxate, also known as LEO43204, is a Novel 4-Isoxazolecarboxylate Ester of Ingenol with Improved Properties for Treatment of Actinic Keratosis and Other Non-Melanoma Skin Cancers. Ingenol is a natural product found in the sap of the plant Euphorbia peplus and an inducer of cell death.

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