5,6a(R),7,8,9,9a(S)-Hexahydro-2,5-dimethyl-3-(4-pyridylmethyl)-cyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one | 140379-16-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并吡啶类
• 英文名称: 5,6a(R),7,8,9,9a(S)-Hexahydro-2,5-dimethyl-3-(4-pyridylmethyl)-cyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one
• 英文别名: (11R,15S)-4,8-dimethyl-5-(pyridin-4-ylmethyl)-1,3,5,8,10-pentazatetracyclo[7.6.0.02,6.011,15]pentadeca-2(6),3,9-trien-7-one
• CAS: 140379-16-4
• 化学式: C₁₈H₂₀N₆O
• 分子量: 336.396
• InChiKey: CKRBZHBDNUVDFT-KGLIPLIRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  25
• 可旋转键数：
  2
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  66.6
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  SCH 47687 、 4-氯甲基吡啶 生成 5,6a(R),7,8,9,9a(S)-Hexahydro-2,5-dimethyl-3-(4-pyridylmethyl)-cyclopent[4,5]imidazo[2,1-b]purin-4(3H)-one
  参考文献：
  名称：

  Polycyclic guanine derivatives

  摘要：

  式子：##STR1## 其中J为氧或硫，R1为氢，烷基或烷基上取代芳基或羟基；R2为氢，芳基，杂环芳基，环烷基，烷基或烷基上取代芳基，杂环芳基，羟基，烷氧基，氨基，单烷基氨基或双烷基氨基，或--(CH2)mTCOR20，其中m为1到6的整数，T为氧或--NH--，R20为氢，芳基，杂环芳基，烷基或烷基上取代芳基或杂环芳基；R3为氢，卤素，三氟甲基，烷氧基，烷硫基，烷基，环烷基，芳基，氨基磺酰基，氨基，单烷基氨基，双烷基氨基，羟基烷基氨基，氨基烷基氨基，羧基，烷氧羰基或氨基羰基或烷基上取代芳基，羟基，烷氧基，氨基，单烷基氨基或双烷基氨基；R.sup.a，R.sup.b，R.sup.c和R.sup.d在规范中定义；n为零或一。式（I）和（I'）的化合物可用作降压，肌肉松弛和支气管扩张剂。

  公开号：

  US05393755A1

文献信息

• Organic compounds
  申请人：Fienberg Allen A.

  公开号：US10010553B2

  公开（公告）日：2018-07-03

  The present invention relates to a new use of phosphodiesterase 1 (PDE1) inhibitors for the treatment of psychosis, schizophrenia, schizoaffective disorder, schizophreniform disorder, psychotic disorder, delusional disorder, mania, or bipolar disorder.

  本发明涉及一种磷酸二酯酶1（PDE1）抑制剂的新用途，用于治疗精神病、精神分裂症、情感分裂症、精神分裂症、精神病性障碍、妄想性障碍、躁狂症或双相情感障碍。
• Combinations of PDE1 inhibitors and NEP inhibitors and associated methods
  申请人：Intra-Cellular Therapies, Inc.

  公开号：US10285992B2

  公开（公告）日：2019-05-14

  The invention relates to the combination of inhibitors of phosphodiesterase 1 (PDE1) and inhibitors of Neprilysin (NEP) useful for the treatment of certain cardiovascular diseases or related disorders, e.g., hypertension, congestive heart disease, and post-myocardial infarction. In another embodiment, the invention relates to the combination of inhibitors of PDE1 and inhibitors of NEP for the treatment of diseases or disorders characterized by disruption of or damage to various cGMP/PKG mediated pathways in the cardiovascular system (e.g., in cardiac tissue or in arterial smooth muscle).

  本发明涉及磷酸二酯酶1（PDE1）抑制剂和NEPrilysin（NEP）抑制剂的组合，用于治疗某些心血管疾病或相关疾病，如高血压、充血性心脏病和心肌梗塞后。在另一个实施方案中，本发明涉及 PDE1 抑制剂和 NEP 抑制剂的组合，用于治疗以心血管系统（如心脏组织或动脉平滑肌）中各种 cGMP/PKG 介导的通路被破坏或损害为特征的疾病或紊乱。
• Combinations of PDE1 inhibitors and NEP inhibitors
  申请人：INTRA-CELLULAR THERAPIES, INC.

  公开号：US11166956B2

  公开（公告）日：2021-11-09

  The invention relates to the combination of inhibitors of phosphodiesterase 1 (PDE1) and inhibitors of Neprilysin (NEP) useful for the treatment of certain cardiovascular diseases or related disorders, e.g., hypertension, congestive heart disease, and post-myocardial infarction. In another embodiment, the invention relates to the combination of inhibitors of PDE1 and inhibitors of NEP for the treatment of diseases or disorders characterized by disruption of or damage to various cGMP/PKG mediated pathways in the cardiovascular system (e.g., in cardiac tissue or in arterial smooth muscle).

  本发明涉及磷酸二酯酶1（PDE1）抑制剂和NEPrilysin（NEP）抑制剂的组合，用于治疗某些心血管疾病或相关疾病，如高血压、充血性心脏病和心肌梗塞后。在另一个实施方案中，本发明涉及 PDE1 抑制剂和 NEP 抑制剂的组合，用于治疗以心血管系统（如心脏组织或动脉平滑肌）中各种 cGMP/PKG 介导的通路被破坏或损害为特征的疾病或紊乱。
• PDE1 inhibitors for ophthalmic disorders
  申请人：Davis Robert

  公开号：US11464781B2

  公开（公告）日：2022-10-11

  Compounds that inhibit phosphodiesterase 1 (PDE1) are useful to treat glaucoma or elevated intraocular pressure. The PDE1 inhibitors may be administered as monotherapy or in combination with additional intraocular-pressure lowering agents. In addition, the invention provides ophthalmic compositions comprising PDE 1 inhibitors and optionally one or more additional intraocular pressure-lowering agents. Topical and systemic therapy may be used.

  抑制磷酸二酯酶 1 (PDE1) 的化合物可用于治疗青光眼或眼压升高。PDE1 抑制剂可作为单药或与其他降低眼压的药物联合使用。此外，本发明还提供了包含 PDE 1 抑制剂和一种或多种额外的眼压降低剂的眼科组合物。可采用局部和全身疗法。
• POLYCYCLIC GUANINE DERIVATIVES
  申请人：SCHERING CORPORATION

  公开号：EP0538332B1

  公开（公告）日：1997-07-23