Name: 3,5-dimethyl PIT-1
Rating: 5 (10 reviews)

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HIT ID:HIT100747663
Cas No:701947-53-7
常用名:3,5-dimethyl PIT-1
IUPAC:3-(3,5-dimethylbenzoyl)-1-(2-hydroxy-5-nitrophenyl)thiourea
IUPAC:3-(3,5-dimethylbenzoyl)-1-(2-hydroxy-5-nitrophenyl)thiourea
InChI key:CGWBCAQMXJFWBU-UHFFFAOYSA-N

分子式:C16H15N3O4S
分子量:345.37
氢键供体数 (HBD):3
氢键受体数 (HBA):4
LogP:4.118
SMILES:Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1cc(ccc1O)[N+]([O-])=O
SMILES:Cc1cc(C)cc(c1)C(=O)NC(=S)Nc1cc(ccc1O)[N+]([O-])=O

PtdIns-(3,4,5)-P3 (PIP3) serves as an anchor for the binding of signal transduction proteins bearing pleckstrin homology (PH) domains such as phosphatidylinositol 3-kinase (PI3K) or PTEN. Protein binding to PIP3 is important for cytoskeletal rearrangement and membrane trafficking and initiates an intricate signaling cascade that has been implicated in cancer. 3,5-dimethyl PIT-1 is a dimethyl analog of PIT-1, the selective inhibitor of PIP3/Akt PH domain binding, that is designed for more favorable solubility in vivo. 3,5-dimethyl PIT-1 inhibits PI3K/Akt signaling (IC50 = 27 μM), suppressing PI3K-PDK1-Akt-dependent phosphorylation, which has been shown to reduce cell viability and induce apoptosis in PTEN-deficient U87MG glioblastoma cells (IC50 = 36 μM). 4T1 breast cancer growth is significantly attenuated in BALB/c mice with a dose of 1 mg/kg of 3,5-dimethyl PIT-1 per day.

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