2-morpholino-4-(4-(piperazin-1-ylmethyl)phenylamino)pyrimido[4,5-d]pyridazin-5(6H)-one hydrochloride | 1425379-73-2

• 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: 2-morpholino-4-(4-(piperazin-1-ylmethyl)phenylamino)pyrimido[4,5-d]pyridazin-5(6H)-one hydrochloride
• 英文别名: 2-morpholin-4-yl-4-[4-(piperazin-1-ylmethyl)anilino]-6H-pyrimido[4,5-d]pyridazin-5-one;hydrochloride
• CAS: 1425379-73-2
• 化学式: C₂₁H₂₆N₈O₂*ClH
• 分子量: 458.951
• InChiKey: FQXFKRRYNPIDCF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.12
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  107
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  (Z)-ethyl 3-amino-2-(ethoxycarbonylcarbamothioyl)but-2-enoate 在 sodium periodate 、 盐酸肼 、 三正丁胺 、 三乙胺 、 三氯氧磷 作用下， 以 N-甲基吡咯烷酮 、 甲醇 、 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 27.75h， 生成 2-morpholino-4-(4-(piperazin-1-ylmethyl)phenylamino)pyrimido[4,5-d]pyridazin-5(6H)-one hydrochloride
  参考文献：
  名称：

  [EN] PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF
  [FR] COMPOSÉS DE PYRIMIDO-PYRIDAZINONE ET LEURS PROCÉDÉS D'UTILISATION

  摘要：

  公开号：

  WO2013028818A8

文献信息

• PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS OF USE THEREOF
  申请人：Endo Pharmaceuticals Inc.

  公开号：US20140221315A1

  公开（公告）日：2014-08-07

  The present application provides novel pyrimido-pyridazinone compounds and methods for preparing and using these compounds. These compounds are useful in treating inflammation in patients by administering one or more of the compounds to a patient. In one embodiment, the novel pyrimido-pyridazinone compound is of Formula (I) and R 1 and R 2 are defined herein.

  本申请提供了新型嘧啶并吡啶嗪酮化合物以及制备和使用这些化合物的方法。通过向患者投药一种或多种化合物，这些化合物可用于治疗患者的炎症。在一种实施方式中，新型嘧啶并吡啶嗪酮化合物为公式（I）中的化合物，其中R1和R2在此定义。
• Pyrimido-pyridazinone compounds and methods of use thereof
  申请人：Venkatesan Aranapakam

  公开号：US08729079B2

  公开（公告）日：2014-05-20

  The present application provides novel pyrimido-pyridazinone compounds and methods for preparing and using these compounds. These compounds are useful in treating inflammation in patients by administering one or more of the compounds to a patient. In one embodiment, the novel pyrimido-pyridazinone compound is of Formula (I) and R1 and R2 are defined herein.

  本申请提供了新型嘧啶并吡啶嗪酮化合物及其制备和使用方法。这些化合物通过向患者施用一种或多种化合物来治疗患者的炎症。在一种实施例中，新型嘧啶并吡啶嗪酮化合物为式（I）化合物，其中R1和R2在此定义。
• PYRIMIDO-PYRIDAZINONE COMPOUNDS AND METHODS AND USE THEREOF
  申请人：Asana BioSciences, LLC

  公开号：EP3404029A2

  公开（公告）日：2018-11-21

  The present application provides novel pyrimido-pyridazinone compounds and methods for preparing and using these compounds. These compounds are useful in treating inflammation in patients by administering one or more of the compounds to a patient. In one embodiment, the novel pyrimido-pyridazinone compound is of Formula (I) and R1 and R2 are defined herein.

  本申请提供了新型嘧啶哒嗪酮化合物以及制备和使用这些化合物的方法。通过向患者施用一种或多种化合物，这些化合物可用于治疗患者的炎症。在一个实施方案中，新型嘧啶基哒嗪酮化合物为式(I)，R1和R2在此定义。
• Uses of pyrimido-pyridazinones to treat cancer
  申请人：Asana Biosciences, LLC

  公开号：US10188654B2

  公开（公告）日：2019-01-29

  Disclosed are methods of treating cancer, which include administering a therapeutically effective amount of a compound of Formula (I), or a pharmaceutically acceptable salt or ester thereof, to a subject in need thereof. Also disclosed are methods of inhibiting growth and proliferation of cancer cells in vitro or in vivo, which include contacting the cells with an amount of the compound of formula (I) effective to inhibit the growth or proliferation of the cancer cells. Further disclosed are methods of inhibiting tumor growth, which include contacting the tumor with an amount of the compound of formula (I) effective to inhibit the growth of the tumor.

  所公开的是治疗癌症的方法，其中包括向有需要的受试者施用治疗有效量的式（I）化合物或其药学上可接受的盐或酯。 还公开了体外或体内抑制癌细胞生长和增殖的方法，其中包括使细胞与有效量的式 (I) 化合物接触，以抑制癌细胞的生长或增殖。还公开了抑制肿瘤生长的方法，其中包括使肿瘤与有效抑制肿瘤生长的一定量的式 (I) 化合物接触。
• PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF
  申请人：Endo Pharmaceuticals Inc.

  公开号：EP2748166A1

  公开（公告）日：2014-07-02