N-(4-Nitrobenzoyl)-D-serine-d3 Quinine Salt

Ref. TR-N495642

Product Information

• Name: N-(4-Nitrobenzoyl)-D-serine-d3 Quinine Salt
• Synonyms: (R)-(6-methoxyquinolin-4-yl)((1S,2S,4S,5R)-5-vinylquinuclidin-2-yl)methanol (4-nitrobenzoyl)-D-serinate-2,3,3-d3

Description

Applications N-(4-Nitrobenzoyl)-D-serine Quinine Salt is an intermediate used in the synthesis of D-Serine-2,3,3-d3 (S270977), which is derived from 2-Chlorobenzyl Chloride (C364225), which is a reagent in the synthesis of piperidine derivatives which are used as human heat shock protein 70 inhibitors for treatment of drug-resistant tumors. 2-Chlorobenzyl Chloride is also used as a reagent in the synthesis of benzothiazole derivatives bearing indole-based moiety which can exhibit anticancer activity.
References Zeng, Y., et al.: Eur. J. Med. Chem., 97, 19 (2015); Ma, J., et al.: Eur. J. Med. Chem., 96, 173 (2015)

• Brand: TRC

Chemical properties

• Molecular weight: 581.63
• Formula: C₁₀H₇D₃N₂O₆·CH₂₄N₂O₂
• Color/Form: Neat
• InChI: InChI=1S/C20H24N2O2.C10H10N2O6/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;13-5-8(10(15)16)11-9(14)6-1-3-7(4-2-6)12(17)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;1-4,8,13H,5H2,(H,11,14)(H,15,16)/t13-,14-,19-,20+;8-/m01/s1/i;5D2,8D
• SMILES: C=C[C@H]1C[N@]2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12.[2H]C([2H])(O)C([2H])(NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O