Name: ITI-214 free base
Rating: 5 (10 reviews)

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HIT ID:HIT212672377
Cas No:1160521-50-5
常用名:ITI-214 free base
别名:ITI214 free base
IUPAC:(11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.0^{2,6}.0^{11,15}]pentadeca-2,5,9-trien-7-one
IUPAC:(11R,15S)-4-{[4-(6-fluoropyridin-2-yl)phenyl]methyl}-8-methyl-5-(phenylamino)-1,3,4,8,10-pentaazatetracyclo[7.6.0.0^{2,6}.0^{11,15}]pentadeca-2,5,9-trien-7-one
InChI key:BBIPVJCGIASXJB-PKTZIBPZSA-N

分子式:C29H26FN7O
分子量:507.573
氢键供体数 (HBD):1
氢键受体数 (HBA):6
LogP:7.1043124
SMILES:[H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(cc3)-c3cccc(F)n3)nc12 |c:9|
SMILES:[H][C@@]12CCC[C@]1([H])N1C(=N2)N(C)C(=O)c2c(Nc3ccccc3)n(Cc3ccc(cc3)-c3cccc(F)n3)nc12 |c:9|

ITI-214 free base is a picomolar PDE1 inhibitor with excellent selectivity against other PDE family members and against a panel of enzymes, receptors, transporters, and ion channels, exhibits potent PDE1 inhibitory activity (Ki = 58 pM).

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