Name: ILS-920
Rating: 5 (10 reviews)

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HIT ID:HIT212671494
Cas No:892494-07-4
常用名:ILS-920
IUPAC:(1R,2Z,4S,6S,9R,10R,18S,21S,24R,25Z,27R,28R,30R,32S,33S)-10,27-dihydroxy-21-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-4,28-dimethoxy-3,9,24,26,30,32-hexamethyl-34-phenyl-20,35,38-trioxa-13,34-diazatetracyclo[31.2.2.1^{6,10}.0^{13,18}]octatriaconta-2,25-diene-11,12,19,23,29-pentone
IUPAC:(1R,2Z,4S,6S,9R,10R,18S,21S,24R,25Z,27R,28R,30R,32S,33S)-10,27-dihydroxy-21-[(2R)-1-[(1S,3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-4,28-dimethoxy-3,9,24,26,30,32-hexamethyl-34-phenyl-20,35,38-trioxa-13,34-diazatetracyclo[31.2.2.1^{6,10}.0^{13,18}]octatriaconta-2,25-diene-11,12,19,23,29-pentone
InChI key:WZFNBQBUDJACCD-VZNUULDBSA-N

分子式:C57H86N2O14
分子量:1023.315
氢键供体数 (HBD):3
氢键受体数 (HBA):14
LogP:8.755321
SMILES:CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)/[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)[C@@H]3CC[C@@H](ON3c3ccccc3)\C=C(C)/[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |t:14,43|
SMILES:CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)\C=C(C)/[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)[C@@H]3CC[C@@H](ON3c3ccccc3)\C=C(C)/[C@H](C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)OC)CC[C@H]1O |t:14,43|

ILS-920 is a Rapamycin analog characterized by diminished immunosuppressive effects but remarkable neuroprotective properties. It exhibits selective binding affinity towards the immunophilin FKBP52 as well as the β1-subunit of L-type voltage-gated calcium channels (VGCC). ILS-920 displays a notable 200-fold preference for FKBP52 over FKBP12.

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