(3Z)-2,3-Dihydro-3-[[[4-[methyl[2-(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-1H-indole-6-carboxylic Acid-D3

CAS: 894783-71-2

Ref. TR-D454387

Product Information

• Name: (3Z)-2,3-Dihydro-3-[[[4-[methyl[2-(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-1H-indole-6-carboxylic Acid-D3
• Synonyms: BIBF 1202-D3
• CAS: 894783-71-2

Description

Applications (3Z)-2,3-Dihydro-3-[[[4-[methyl[2-(4-methyl-1-piperazinyl)acetyl]amino]phenyl]amino]phenylmethylene]-2-oxo-1H-indole-6-carboxylic Acid-D3 is an intermediate used in the synthesis of Nintedanib Demethyl-O-glucuronic Acid-d3 (N478297), which is an isotopic analog of Nintedanib Demethyl-O-glucuronic Acid (N478295), a metabolite of the drug Nintedanib (N478290).
References Sun, L., et al.: J. Med. Chem., 41, 2588 (1998); Xie, H., et al.: J. Med. Chem., 50, 4898 (2007); Hilberg, F., et al.: Cancer Res., 68, 4774 (2008); Roth, G., et al.: J. Med. Chem., 58, 1053 (2015)

• Brand: TRC

Chemical properties

• Molecular weight: 528.617
• Formula: C₃₀H₂₈D₃N₅O₄
• Color/Form: Neat
• InChI: InChI=1S/C30H31N5O4/c1-33-14-16-35(17-15-33)19-26(36)34(2)23-11-9-22(10-12-23)31-28(20-6-4-3-5-7-20)27-24-13-8-21(30(38)39)18-25(24)32-29(27)37/h3-13,18,31H,14-17,19H2,1-2H3,(H,32,37)(H,38,39)/b28-27-/i1D3
• InChI key: InChIKey=KEHNCEDHZGQSNP-ZVWXIUIRSA-N
• SMILES: [2H]C([2H])([2H])N1CCN(CC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4cc(C(=O)O)ccc43)c3ccccc3)cc2)CC1