1-(9-芴甲氧羰基)-4-羧甲基哌嗪

1-(9-芴甲氧羰基)-4-羧甲基哌嗪
别名	1-(芴甲氧羰基)哌嗪-4-乙酸; 4-(芴甲氧羰基)哌嗪-1-乙酸; 1-Fmoc-哌嗪-4-乙酸
识别
CAS号	180576-05-0
SMILES	O=C(O)CN1CCN(C(=O)OCC2C=3C=CC=CC3C=4C=CC=CC42)CC1;
InChI	InChI=1S/C21H22N2O4/c24-20(25)13-22-9-11-23(12-10-22)21(26)27-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,24,25);
InChIKey	XNWPGFGLHGFRRP-UHFFFAOYSA-N
性质
化学式	C21H22N2O4
摩尔质量	366.41 g·mol−1
	若非注明，所有数据均出自标准状态（25 ℃，100 kPa）下。

1-(9-芴甲氧羰基)-4-羧甲基哌嗪是一种有机化合物，化学式为C₂₁H₂₂N₂O₄。它可以4-叔丁氧羰基哌嗪-1-乙酸叔丁酯和N-(9-芴甲氧羰基氧基)丁二酰亚胺为原料反应制得。^[1]它和4-(3,5-二甲氧基苯甲酰氨基)丁酸在二异丙基乙胺存在下反应，可以得到4-[4-(3,5-二甲氧基苯甲酰氨基)-1-氧代丁基]-1-羧甲基哌嗪。^[2]

参考文献

^ Zeneca Ltd.; Dutta, Anand Swaroop. Preparation of cyclic peptides as cell adhesion inhibiting compounds. 1997. WO9749731 A1.
^ Revotar Biopharmaceuticals AG. Novel multi-cyclic compounds comprising dihydroxy- or dimethoxyphenyl subunits and their use as selectin antagonists. 2007. EP1764094 A1.

拓展阅读

Yuqing Jia; et al. Development of Inhibitors, Probes, and PROTAC Provides a Complete Toolbox to Study PARK7 in the Living Cell. J. Med. Chem. 2024, 67, 10, 7935–7953. doi:10.1021/acs.jmedchem.3c02410

[1] Zeneca Ltd.; Dutta, Anand Swaroop. Preparation of cyclic peptides as cell adhesion inhibiting compounds. 1997. WO9749731 A1.

[2] Revotar Biopharmaceuticals AG. Novel multi-cyclic compounds comprising dihydroxy- or dimethoxyphenyl subunits and their use as selectin antagonists. 2007. EP1764094 A1.

[1]

[2]

1-(9-芴甲氧羰基)-4-羧甲基哌嗪

别名	1-(芴甲氧羰基)哌嗪-4-乙酸 4-(芴甲氧羰基)哌嗪-1-乙酸 1-Fmoc-哌嗪-4-乙酸
识别
CAS号	180576-05-0 ^Y
SMILES	O=C(O)CN1CCN(C(=O)OCC2C=3C=CC=CC3C=4C=CC=CC42)CC1
InChI	InChI=1S/C21H22N2O4/c24-20(25)13-22-9-11-23(12-10-22)21(26)27-14-19-17-7-3-1-5-15(17)16-6-2-4-8-18(16)19/h1-8,19H,9-14H2,(H,24,25)
InChIKey	XNWPGFGLHGFRRP-UHFFFAOYSA-N
性质
化学式	C₂₁H₂₂N₂O₄
摩尔质量	366.41 g·mol⁻¹
若非注明，所有数据均出自标准状态（25 ℃，100 kPa）下。