N-[4-[4-(4-morpholinyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-4-[[3(R)-[(1-oxo-2-propen-1-yl)amino]-1-piperidinyl]methyl]-2-pyridinecarboxamide | 2448172-22-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[4-[4-(4-morpholinyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-4-[[3(R)-[(1-oxo-2-propen-1-yl)amino]-1-piperidinyl]methyl]-2-pyridinecarboxamide
• 英文别名: Menin-MLL inhibitor 21；N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide
• CAS: 2448172-22-1
• 化学式: C₃₁H₃₄N₈O₃
• 分子量: 566.663
• InChiKey: CPRLHPSXWZTPMC-XMMPIXPASA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  42
• 可旋转键数：
  8
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  128
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-(羟甲基)吡啶-2-羧酸甲酯 在 盐酸 、 2-羟基吡啶-N-氧化物 、 水 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 、 N,N-二异丙基乙胺 、 lithium hydroxide 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基乙酰胺 为溶剂， 反应 47.75h， 生成 N-[4-[4-(4-morpholinyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-4-[[3(R)-[(1-oxo-2-propen-1-yl)amino]-1-piperidinyl]methyl]-2-pyridinecarboxamide
  参考文献：
  名称：

  [EN] SYNTHETIC METHODS FOR PREPARING A PYRIDINECARBOXAMIDE COMPOUND
  [FR] PROCÉDÉS DE SYNTHÈSE POUR LA PRÉPARATION D'UN COMPOSÉ PYRIDINECARBOXAMIDE

  摘要：

  Described herein are synthetic methods to prepare N- [4- [4- (4-morpholinyl) -7H-pyrrolo [2, 3-d] pyrimidin-6-yl] phenyl] -4- [ [3- [ (1-oxo-2-propen-1-yl) amino] -1-piperidinyl] methyl] -2-pyridinecarboxamide, an irreversible covalent inhibitor of menin-MLL interaction.

  公开号：

  WO2024011450A1

文献信息

• [EN] FUSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF MENIN-MLL INTERACTION<br/>[FR] COMPOSÉS DE PYRIMIDINE FUSIONNÉE UTILISÉS COMME INHIBITEURS DE L'INTERACTION MÉNINE-MLL
  申请人：BIOMEA FUSION INC

  公开号：WO2022133064A1

  公开（公告）日：2022-06-23

  Disclosed herein are heterocyclic compounds that inhibit the binding of menin and MLL or MLL fusion proteins. Also described are specific irreversible inhibitors of menin-MLL interaction. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the menin-MLL irreversible inhibitors are disclosed, alone or in combination with other therapeutic agents, for the treatment of autoimmune diseases or conditions, heteroimmune diseases or conditions, cancer, including lymphoma, leukemia and other diseases or conditions dependent on menin-MLL interaction.

  本文披露了一些杂环化合物，可以抑制Menin和MLL或MLL融合蛋白的结合。同时，还描述了特定的不可逆Menin-MLL相互作用抑制剂。还披露了包括这些化合物的药物组合物。披露了使用Menin-MLL不可逆抑制剂的方法，单独或与其他治疗剂联合使用，用于治疗自身免疫疾病或状况、异种免疫疾病或状况、癌症，包括淋巴瘤、白血病和其他依赖于Menin-MLL相互作用的疾病或状况。
• Substituted pyridines as irreversible inhibitors of menin-MLL interaction
  申请人：Biomea Fusion, LLC

  公开号：US11084825B2

  公开（公告）日：2021-08-10

  Disclosed herein are heterocyclic compounds that inhibit the binding of menin and MLL or MLL fusion proteins. Also described are specific irreversible inhibitors of menin-MLL interaction. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the menin-MLL irreversible inhibitors are disclosed, alone or in combination with other therapeutic agents, for the treatment of autoimmune diseases or conditions, heteroimmune diseases or conditions, cancer, including lymphoma, leukemia and other diseases or conditions dependent on menin-MLL inter-action; or a pharmaceutically acceptable salt thereof.

  本文公开了抑制 menin 与 MLL 或 MLL 融合蛋白结合的杂环化合物。还描述了 menin-MLL 相互作用的特异性不可逆抑制剂。还公开了包括这些化合物的药物组合物。公开了使用 menin-MLL 不可逆抑制剂的方法，这些抑制剂可单独使用或与其它治疗剂联合使用，用于治疗自身免疫性疾病或病症、异种免疫性疾病或病症、癌症，包括淋巴瘤、白血病和其它依赖于 menin-MLL 相互作用的疾病或病症； 或其药学上可接受的盐。
• WO2020142557A5
  申请人：——

  公开号：WO2020142557A5

  公开（公告）日：2023-03-13
• IRREVERSIBLE INHIBITORS OF MENIN-MLL INTERACTION
  申请人：Biomea Fusion, LLC

  公开号：US20200223853A1

  公开（公告）日：2020-07-16

  Disclosed herein are heterocyclic compounds that inhibit the binding of menin and MLL or MLL fusion proteins. Also described are specific irreversible inhibitors of menin-MLL interaction. Also disclosed are pharmaceutical compositions that include the compounds. Methods of using the menin-MLL irreversible inhibitors are disclosed, alone or in combination with other therapeutic agents, for the treatment of autoimmune diseases or conditions, heteroimmune diseases or conditions, cancer, including lymphoma, leukemia and other diseases or conditions dependent on menin-MLL interaction.
• CRYSTALLINE FORMS OF N-[4-[4-(4-MORPHOLINYL)-7H-PYRROLO[2,3-D]PYRIMIDIN-6-YL]PHENYL]-4-[[3(R)-[(L-OXO-2-PROPEN-L-YL)AMINO]-L-PIPERIDINYL]METHYL]-2- PYRIDINECARBOXAMIDE AS A COVALENTINHIBITOR OF MENIN-MLL INTERACTION
  申请人：[en]BIOMEA FUSION, INC.

  公开号：WO2024155719A1

  公开（公告）日：2024-07-25

  Described herein is N-[4-[4-(4-morpholinyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-4-[[3(R)-[(1-oxo-2-propen-1-yl)amino]-1-piperidinyl]methyl]-2-pyridinecarboxamide (Compound A) (Formula I), including crystalline forms, solvates, and pharmaceutically acceptable salts thereof. Also disclosed are pharmaceutical compositions or pharmaceutical formulations that include the compound, as well as methods of using the compound, alone or in combination with other therapeutic agents, for the treatment of autoimmune diseases or conditions, heteroimmune diseases or conditions, cancer, including lymphoma, diabetes, and inflammatory diseases or conditions.