Cipemastat | 204637-86-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑烷类
• 英文名称: Cipemastat
• 英文别名: (2S,3R)-3-(cyclopentylmethyl)-N-hydroxy-4-oxo-4-piperidin-1-yl-2-[(3,4,4-trimethyl-2,5-dioxoimidazolidin-1-yl)methyl]butanamide
• CAS: 204637-86-5
• 化学式: C₂₂H₃₆N₄O₅
• 分子量: 436.552
• InChiKey: GFUITADOEPNRML-IAGOWNOFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  31
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.82
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  Cipemastat 以 甲醇 为溶剂， 生成 Ro 32-4779
  参考文献：
  名称：

  Alkylation of succinates: Synthesis of Ro 32–3555

  摘要：

  A short synthesis, based on a succinate acylation-akylation-decarboxylation approach, of the clinical compound Ro 32-3555 is reported. The nature of the selectivity in the mono-alkylation of succinates was examined under varying enolization conditions and in the presence of chaotropic additives. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(97)10179-2
• 作为产物：
  描述：

  3-bromomethyl-1,5,5-trimethylimidazolidine-2,4-dione 在 palladium on activated charcoal 、 Pd-BaSO₄ 氢气 、 sodium hydride 、 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 三乙胺 、 三氟乙酸 作用下， 以 甲醇 、 乙二醇二甲醚 、 二氯甲烷 、 异丙醇 、 甲苯 为溶剂， 23.0 ℃ 、310.27 kPa 条件下， 反应 53.0h， 生成 Cipemastat
  参考文献：
  名称：

  Alkylation of succinates: Synthesis of Ro 32–3555

  摘要：

  A short synthesis, based on a succinate acylation-akylation-decarboxylation approach, of the clinical compound Ro 32-3555 is reported. The nature of the selectivity in the mono-alkylation of succinates was examined under varying enolization conditions and in the presence of chaotropic additives. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(97)10179-2

文献信息

• [EN] MULTIDENTATE BIFUNCTIONAL CHELATING AGENTS FOR RADIONUCLIDE COMPLEXATION IN DIAGNOSTICS AND THERAPY<br/>[FR] AGENTS BIFONCTIONNELS MULTIDENTATES DE CHÉLATION POUR LA COMPLEXATION DE RADIONUCLÉIDES EN DIAGNOSTIC ET EN THÉRAPIE
  申请人：UNIV ZUERICH

  公开号：WO2015140212A1

  公开（公告）日：2015-09-24

  The invention relates to octadentate ligands of a general formula R1 - D - X - D - X - D - X - D - E - R2, wherein D is C(O)N(OH) or N(OH)C(O), pyrimidinone or pyridinone, each X independently of any other X is a saturated or partially unsaturated, substituted or unsubstituted linker comprising 8-11 atoms selected from any of N, C, O; R1 is alkyl, cycloalkyl, arene, or heteroarene, E is a saturated or partially unsaturated, substituted or unsubstituted chain comprising 1 - 50 atoms and R2 is a moiety capable of selectively binding to a biomolecule, or a nanoparticle. The invention further relates to complexes of the ligand, particularly radionuclides and their use in radioimmunotherapy and imaging.

  该发明涉及一般公式为R1 - D - X - D - X - D - X - D - E - R2的八齿配体，其中D为C(O)N(OH)或N(OH)C(O)，嘧啶酮或吡啶酮，每个X独立于其他X，是由N、C、O中的任意8-11个原子构成的饱和或部分不饱和、取代或未取代的连接基；R1为烷基、环烷基、芳烃或杂环烃；E为由1-50个原子构成的饱和或部分不饱和、取代或未取代链；R2为能够选择性结合生物分子或纳米颗粒的基团。该发明还涉及配体的络合物，特别是放射性同位素及其在放射免疫治疗和成像中的应用。
• Multidentate bifunctional chelating agents for radionuclide complexation in diagnostics and therapy
  申请人：UNIVERSITAT ZURICH

  公开号：US11033642B2

  公开（公告）日：2021-06-15

  The invention relates to octadentate ligands of a general formula R1-D-X-D-X-D-X-D-E-R2, wherein D is C(O)N(OH) or N(OH)C(O), pyrimidinone or pyridinone, each X independently of any other X is a saturated or partially unsaturated, substituted or unsubstituted linker comprising 8-11 atoms selected from any of N, C, O; R1 is alkyl, cycloalkyl, arene, or heteroarene, E is a saturated or partially unsaturated, substituted or unsubstituted chain comprising 1-50 atoms and R2 is a moiety capable of selectively binding to a biomolecule, or a nanoparticle. The invention further relates to complexes of the ligand, particularly radionuclides and their use in radioimmunotherapy and imaging.

  本发明涉及通式为 R1-D-X-D-X-D-X-D-E-R2 的八齿配体，其中 D 是 C(O)N(OH)或 N(OH)C(O)、嘧啶酮或吡啶酮，每个 X 独立于任何其他 X 是饱和或部分不饱和、取代或未取代的连接体，包括 8-11 个选自 N、C、O 中任何一种的原子；R1 是烷基、环烷基、炔基或杂芳基，E 是由 1-50 个原子组成的饱和或部分不饱和、取代或未取代的链，R2 是能够选择性地与生物大分子或纳米粒子结合的分子。本发明还涉及配体的复合物，特别是放射性核素及其在放射免疫治疗和成像中的应用。
• Hydroxamic acid derivatives with three ring substituents
  申请人：F. HOFFMANN-LA ROCHE AG

  公开号：EP0684240B1

  公开（公告）日：2000-08-02
• MULTIDENTATE BIFUNCTIONAL CHELATING AGENTS FOR RADIONUCLIDE COMPLEXATION IN DIAGNOSTICS AND THERAPY
  申请人：Universität Zürich

  公开号：EP3131585A1

  公开（公告）日：2017-02-22
• Alkylation of succinates: Synthesis of Ro 32–3555
  作者：Kim F. McClure、Matthew Z. Axt

  DOI：10.1016/s0960-894x(97)10179-2

  日期：1998.1

  A short synthesis, based on a succinate acylation-akylation-decarboxylation approach, of the clinical compound Ro 32-3555 is reported. The nature of the selectivity in the mono-alkylation of succinates was examined under varying enolization conditions and in the presence of chaotropic additives. (C) 1998 Elsevier Science Ltd. All rights reserved.