1'-(tert-butyl) 5'-methyl (3'R,5'S)-[1,3'-bipyrrolidine]-1',5'-dicarboxylate | 1160824-67-8

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1'-(tert-butyl) 5'-methyl (3'R,5'S)-[1,3'-bipyrrolidine]-1',5'-dicarboxylate
• 英文别名: 1-O-tert-butyl 2-O-methyl (2S,4R)-4-pyrrolidin-1-ylpyrrolidine-1,2-dicarboxylate
• CAS: 1160824-67-8
• 化学式: C₁₅H₂₆N₂O₄
• 分子量: 298.382
• InChiKey: NRZVVUWELYSFLG-NEPJUHHUSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.87
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  1'-(tert-butyl) 5'-methyl (3'R,5'S)-[1,3'-bipyrrolidine]-1',5'-dicarboxylate 在 lithium hydrochloride monohydrate 作用下， 以 水 、 乙腈 为溶剂， 生成
  参考文献：
  名称：

  Discovery of N-{N-[(3-Cyanophenyl)sulfonyl]-4(R)-cyclobutylamino-(l)-prolyl}-4-[(3′,5′-dichloroisonicotinoyl)amino]-(l)-phenylalanine (MK-0668), an Extremely Potent and Orally Active Antagonist of Very Late Antigen-4

  摘要：

  Extremely potent very late antigen-4 (VLA-4) antagonists with picomolar, whole blood activity and slow dissociation rates were discovered by incorporating an amino substituent on the proline fragment of the initial lead structure. This level of potency against the unactivated form of VLA-4 was shown to be sufficient to overcome the poor pharmacokinetic profiles typical of this class of VLA-4 antagonists, and sustained activity as measured by receptor occupancy was achieved in preclinical species after oral dosing.

  DOI：

  10.1021/jm900257b
• 作为产物：
  描述：

  四氢吡咯 、 1-O-tert-butyl 2-O-methyl (2S,4S)-4-(trifluoromethylsulfonyloxy)pyrrolidine-1,2-dicarboxylate 以 二氯甲烷 为溶剂， 生成 1'-(tert-butyl) 5'-methyl (3'R,5'S)-[1,3'-bipyrrolidine]-1',5'-dicarboxylate
  参考文献：
  名称：

  Discovery of N-{N-[(3-Cyanophenyl)sulfonyl]-4(R)-cyclobutylamino-(l)-prolyl}-4-[(3′,5′-dichloroisonicotinoyl)amino]-(l)-phenylalanine (MK-0668), an Extremely Potent and Orally Active Antagonist of Very Late Antigen-4

  摘要：

  Extremely potent very late antigen-4 (VLA-4) antagonists with picomolar, whole blood activity and slow dissociation rates were discovered by incorporating an amino substituent on the proline fragment of the initial lead structure. This level of potency against the unactivated form of VLA-4 was shown to be sufficient to overcome the poor pharmacokinetic profiles typical of this class of VLA-4 antagonists, and sustained activity as measured by receptor occupancy was achieved in preclinical species after oral dosing.

  DOI：

  10.1021/jm900257b

文献信息

• [EN] PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS<br/>[FR] COMPOSÉS PHARMACEUTIQUES POUR LE TRAITEMENT DE TROUBLES À MÉDIATION PAR COMPLÉMENT
  申请人：ACHILLION PHARMACEUTICALS INC

  公开号：WO2022066774A1

  公开（公告）日：2022-03-31

  This disclosure provides pharmaceutical compounds to treat medical disorders, such as complement-mediated disorders, including complement C1-mediated disorders.

  这份披露提供了用于治疗医学障碍的药物化合物，例如补体介导的障碍，包括补体C1介导的障碍。