DDR1-IN-1 (hydrate)

The discoidin domain receptor (DDR) tyrosine kinases are activated by matrix collagens and are important for cell proliferation, differentiation, adhesion, migration, and invasion. DDR1-IN-1 binds to DDR1 and inhibits DDR1 autophosphorylation with an IC50 value of 105 nM and an EC50 value of 87 nM. It demonstrates weaker inhibition for DDR2 (IC50 = 413 nM) and has a good selectivity profile against a panel of 451 kinases. DDR-IN-1 has been shown to inhibit colorectal cancer cell lines when used in combination with the PI3K/mTOR inhibitor, GSK2126458 (Cay-17377).Formal Name: N-[3-[(2,3-dihydro-2-oxo-1H-indol-5-yl)oxy]-4-methylphenyl]-4-[(4-ethyl-1-piperazinyl)methyl]-3-(trifluoromethyl)-benzamide, hydrate. Synonyms: Discoidin Domain Receptor 1-IN-1. Molecular Formula: C30H31F3N4O3 . XH2O. Formula Weight: 552.6. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 10 mg/ml, DMF:PBS(pH7.2) (1:2): 0.3 mg/ml, DMSO: 10 mg/ml, Ethanol: 0.1 mg/ml. SMILES: O=C(NC1=CC=C(C)C(OC2=CC3=C(NC(C3)=O)C=C2)=C1)C4=CC=C(CN5CCN(CC)CC5)C(C(F)(F)F)=C4.O. InChi Code: InChI=1S/C30H31F3N4O3.H2O/c1-3-36-10-12-37(13-11-36)18-21-6-5-20(15-25(21)30(31,32)33)29(39)34-23-7-4-19(2)27(17-23)40-24-8-9-26-22(14-24)16-28(38)35-26,/h4-9,14-15,17H,3,10-13,16,18H2,1-2H3,(H,34,39)(H,35,38),1H2. InChi Key: QSSRNPHRICJNHF-UHFFFAOYSA-N.