GF109203X

The 1H-Pyrrole-2,5-dione,3-[1-[3-(dimethylamino)propyl]-1H-indol-3-yl]-4-(1H-indol-3-yl)-, with the CAS registry number of 133052-90-1, is also known as 2-[1-(3-Dimethylaminopropyl)indol-3-yl]-3-(indol-3-yl) maleimide. It belongs to the product category of Protein Kinase. Its molecular formula is C₂₅H₂₄N₄O₂ and molecular weight is 412.48. What's more, its IUPAC name is 3-[1-[3-(Dimethylamino)propyl]indol-3-yl]-4-(1H-indol-3-yl)pyrrole-2,5-dione. This chemical's classification codes are Anti-Inflammatory Agents, Enzyme Inhibitors. In addition, it must be stored in airtight containers and placed in a dry, cool place. It is a bis(indolyl)maleimide.

Physical properties about the 1H-Pyrrole-2,5-dione,3-[1-[3-(dimethylamino)propyl]-1H-indol-3-yl]-4-(1H-indol-3-yl)- are: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.83; (4)ACD/LogD (pH 7.4): 1.71; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 3.53; (7)ACD/KOC (pH 5.5): 2.72; (8)ACD/KOC (pH 7.4): 20.7; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 50.48 Å²; (13)Index of Refraction: 1.687; (14)Molar Refractivity: 120.37 cm³; (15)Molar Volume: 315.9 cm³; (16)Surface Tension: 52.2 dyne/cm; (17)Density: 1.3 g/cm³; (18)Flash Point: 368.5 °C; (19)Enthalpy of Vaporization: 100.54 kJ/mol; (20)Boiling Point: 685.6 °C at 760 mmHg; (21)Vapour Pressure: 1.19E-18 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 2-[1-(3-Dimethylamino-propyl)-1H-indol-3-yl]-acetamide with Indol-3-yl-oxo-acetic acid methyl ester. The reaction needs reagent t-BuOK and solvent Tetrahydrofuran. The reaction time is 3 h with reaction temperature of 0 - 20 °C. The yield is about 84 %.

When you are using this chemical, please be cautious about it as the following:
There is limited evidence of a carcinogenic effect. In addition, during using it, wear suitable protective clothing, gloves.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C5C(\c2c1ccccc1nc2)=C(\c4c3ccccc3n(c4)CCCN(C)C)C(=O)N5
(2) InChI: InChI=1/C25H24N4O2/c1-28(2)12-7-13-29-15-19(17-9-4-6-11-21(17)29)23-22(24(30)27-25(23)31)18-14-26-20-10-5-3-8-16(18)20/h3-6,8-11,14-15,26H,7,12-13H2,1-2H3,(H,27,30,31)
(3) InChIKey: QMGUOJYZJKLOLH-UHFFFAOYAB