N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors Compound 13 ((3'R)-1'-{5-amino-1-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrazole-4-carbonyl}-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one)

N-Alkyl & N-Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors Compound 13 ((3'R)-1'-{5-amino-1-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrazole-4-carbonyl}-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one) Descriptor: (3'R)-1'-{5-amino-1-[(2S)-1,1,1-trifluorobutan-2-yl]-1H-pyrazole-4-carbonyl}-6-chloro-5-fluorospiro[[3,1]benzoxazine-4,3'-piperidin]-2(1H)-one, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Plasma kallikrein Authors: Merchant, R.R, Chernyak, N, Lopez, J.A, Sharp, P.P, Mandal, M, He, J, Hruza, A, Rearden, P, Tatosian, D.A, Lin, K, Esmay, J, Yany, S, Cheng, A, Ellsworth, K, Piou, T, Fier, P, Hicks, J, Sinz, C, Ogowa, A. Deposit date: 2026-02-02 Release date: 2026-03-11 Last modified: 2026-04-01 Method: X-RAY DIFFRACTION (1.733 Å) Cite: N ‐Alkyl and N ‐Aryl Aminopyrazole Spirocarbamates: A Two-Pronged Lead Optimization Strategy to Identify Orally Bioavailable Plasma Kallikrein Inhibitors. Acs Med.Chem.Lett., 17, 2026

N-烷基与N-芳基氨基吡唑螺氨基甲酸酯：一种双管齐下的先导化合物优化策略，用于发现口服生物可利用的血浆激肽释放酶（Plasma kallikrein）抑制剂
化合物13：((3'R)-1'-{5-氨基-1-[(2S)-1,1,1-三氟丁-2-基]-1H-吡唑-4-羰基}-6-氯-5-氟螺[[3,1]苯并恶嗪-4,3'-哌啶]-2(1H)-酮)
描述项：(3'R)-1'-{5-氨基-1-[(2S)-1,1,1-三氟丁-2-基]-1H-吡唑-4-羰基}-6-氯-5-氟螺[[3,1]苯并恶嗪-4,3'-哌啶]-2(1H)-酮、2-(N-吗啉代)乙磺酸（2-(N-MORPHOLINO)-ETHANESULFONIC ACID）、血浆激肽释放酶（Plasma kallikrein）
作者：Merchant, R.R.、Chernyak, N.、Lopez, J.A.、Sharp, P.P.、Mandal, M.、He, J.、Hruza, A.、Rearden, P.、Tatosian, D.A.、Lin, K.、Esmay, J.、Yany, S.、Cheng, A.、Ellsworth, K.、Piou, T.、Fier, P.、Hicks, J.、Sinz, C.、Ogowa, A.
提交日期：2026-02-02
发布日期：2026-03-11
最后修改日期：2026-04-01
实验方法：X射线衍射（X-RAY DIFFRACTION，分辨率1.733埃（Å））
引用文献：N-烷基与N-芳基氨基吡唑螺氨基甲酸酯：一种双管齐下的先导化合物优化策略以发现口服生物可利用的血浆激肽释放酶抑制剂，《ACS药物化学通讯》（Acs Med.Chem.Lett.），2026年，第17卷。