1,3-dimethyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one | 51222-27-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 英文名称: 1,3-dimethyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
• 英文别名: 1,3-Dimethyl-1,6-dihydro-pyrazolo[4,3-d]pyrimidin-7-one；1,3-dimethyl-6H-pyrazolo[4,3-d]pyrimidin-7-one
• CAS: 51222-27-6
• 化学式: C₇H₈N₄O
• 分子量: 164.167
• InChiKey: IBXZYDHNBAILPM-UHFFFAOYSA-N

物化性质

• 沸点：
  428.7±33.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.2
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  59.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1,3-dimethyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one 在 五氯化磷 、 三乙胺 、 三氯氧磷 作用下， 以 二氯甲烷 为溶剂， 反应 3.0h， 生成 N-(1,3-dimethyl-1H-pyrazolo<4,3-d>pyrimidin-7-yl)-2-aminoethanol
  参考文献：
  名称：

  Synthesis and potential antipsychotic activity of 1H-imidazo[1,2-c]pyrazolo[3,4-e]pyrimidines

  摘要：

  The synthesis of a series of 1H-imidazo[1,2-c]pyrazolo[3,4-e]pyrimidines is reported along with the effects of these compounds in preclinical tests for antipsychotic activity. Certain of these compounds displayed antipsychotic-like effects in conditioned avoidance tests, but unlike currently used antipsychotic drugs, they did not have affinity for brain dopamine receptors. These compounds also did not cause dystonias predictive of extrapyramidal side effects in monkeys at doses that produced behavioral effects. On the basis of this unique biological profile, a member of this series 7,8-dihydro-8-ethyl-1,3,5-trimethyl-1H-imidao[1,2-c]pyrazol[3,4-e] pyrimidine (19, CI-943), has been selected for clinical evaluation as an antipsychotic agent.

  DOI：

  10.1021/jm00397a032
• 作为产物：
  描述：

  4-氨基-2,5-二甲基吡唑-3-甲酰胺 在 甲酸 作用下， 生成 1,3-dimethyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one
  参考文献：
  名称：

  1,3-Dimethyl- 1H-pyrazolo(4,3-D) pyrimidine-7 (6H)-ones

  摘要：

  小说1,3-二甲基-1H-吡唑并[4,3-d]嘧啶-7(6H)-酮。这些化合物表现出中枢神经系统活性，特别是抗惊厥和镇静活性，并且还表现出抗炎活性和胃抗分泌活性。

  公开号：

  US03939161A1

文献信息

• [EN] NEW TRPA1 ANTAGONISTS<br/>[FR] NOUVEAUX ANTAGONISTES DE TRPA1
  申请人：ALMIRALL SA

  公开号：WO2017060488A1

  公开（公告）日：2017-04-13

  The present invention relates to compounds of Formula (I), to the process for preparing such compounds and to their use in the treatment of a pathological condition or disease susceptible to amelioration by TRPA1 channel inhibition or antagonism.

  本发明涉及式(I)的化合物，以及制备这种化合物的方法，以及它们在治疗通过TRPA1通道抑制或拮抗可改善的病理状况或疾病中的用途。
• [EN] FLAVANOID COMPOUNDS AND PROCESS FOR PREPARATION THEREOF<br/>[FR] COMPOSÉS FLAVANOÏDES ET LEUR PROCÉDÉ DE PRÉPARATION
  申请人：COUNCIL SCIENT IND RES

  公开号：WO2010097816A1

  公开（公告）日：2010-09-02

  The present invention relates to flavanoid compounds of general formula (X1) wherein: R1 is selected from a group consisting of morpholinyl, N-methyl piperizinyl, piperidinyl and N,N'-dimethylamino groups, and n ranges from 3 to 6, and process for preparation thereof. The present invention relates to the demonstration of anti Helicobacter pylori activity and gastric antisecretory activity of semisynthetically designed flavonoid compounds, to be used for the prevention and treatment of gastroduodenal disorders in general and peptic ulcer diseases in particular. The present invention also relates to a hetero-dimeric bi-functional molecule that can be used as monotherapy substituting/replacing/overcoming currently used triple/quadruple therapy, thereby implicating/ anticipating/envisaging its commercial applicability.

  本发明涉及一般式为（X1）的黄酮类化合物，其中：R1从包括吗啡啶基、N-甲基哌嗪基、哌啶基和N,N'-二甲基氨基等基团中选择，n的范围为3至6，并涉及其制备方法。本发明涉及半合成设计的黄酮类化合物展示抗幽门螺杆菌活性和胃分泌抑制活性，可用于预防和治疗胃十二指肠疾病，特别是消化性溃疡。本发明还涉及一种异源二聚体双功能分子，可用作单疗法替代/取代/克服目前使用的三联/四联疗法，从而暗示/预期/设想其商业适用性。
• [EN] CYCLIC COMPOUND HAVING ANTI-TUMOR ACTIVITY AND USE THEREOF<br/>[FR] COMPOSÉ CYCLIQUE AYANT UNE ACTIVITÉ ANTITUMORALE ET SON UTILISATION<br/>[ZH] 一种具有抗肿瘤活性的并环类化合物及其用途
  申请人：INNOVSTONE THERAPEUTICS LTD

  公开号：WO2021254493A1

  公开（公告）日：2021-12-23

  提供了一种作为PRMT5抑制剂的具有全新结构的化合物、其化合物的制备方法及其治疗由PRMT5抑制剂介导的疾病方面的用途。实验证实这些化合物对PRMT5酶都具有较强的抑制作用。还提供了化合物的合成方法，其工艺简单，操作便捷，利于规模化工业生产和应用。
• 2,3 Substituted fused bicyclic pyrimidin-4(3H)-ones modulating the function of the vanilliod-1receptor (VR1)
  申请人：Brown Rebecca Elizabeth

  公开号：US20090298856A1

  公开（公告）日：2009-12-03

  The use of a compound of formula (I): for the manufacture of a medicament for the treatment of conditions ameliorated by the modulation of the function of the vanilloid-1 receptor (VR1, also known as TRPV1).

  使用化合物(I)的制剂，用于制造治疗通过调节vanilloid-1受体（VR1，又称TRPV1）功能改善的疾病的药物。
• 5-Substituted pyrazolo[4,3-d] pyrimidine-7-ones, process for preparing the compounds and pharmaceutical compositions comprising the compounds
  申请人：WARNER-LAMBERT COMPANY

  公开号：EP0201188A2

  公开（公告）日：1986-12-17

  The present invention relates to novel 5-substituted pyrazolo[4,3-d]pyrimidine-7-one compounds of formula: and compositions, methods of use and processes to make the compounds. The novel compounds are useful in the treatment of cardiovascular disorders, such as heart failure or cardiac insufficiency, The novel compounds bind adenosine receptors and selectively inhibit phosphodiesterase.

  本发明涉及式 5-取代吡唑并[4,3-d]嘧啶-7-酮的新型化合物： 以及制造这些化合物的组合物、使用方法和工艺。这些新型化合物可用于治疗心血管疾病，如心力衰竭或心功能不全，这些新型化合物可结合腺苷受体并选择性地抑制磷酸二酯酶。