1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine | 79398-45-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并[3，4-d]哒嗪
• 英文名称: 1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
• 英文别名: 1,4,5,7-Tetramethyl-6H-pyrrolo[3,4-d]pyridazin；1,4,5,7-Tetramethyl-6H-pyrrolo[3,4-d]pyridazine
• CAS: 79398-45-1
• 化学式: C₁₀H₁₃N₃
• mdl: MFCD02716787
• 分子量: 175.233
• InChiKey: NXUVOVYSWCEJGN-UHFFFAOYSA-N

物化性质

• 熔点：
  300 °C (decomp)(Solv: ethanol (64-17-5); water (7732-18-5))
• 沸点：
  440.5±40.0 °C(Predicted)
• 密度：
  1.142±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  41.6
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine 、 碘甲烷 以57%的产率得到
  参考文献：
  名称：

  ACAR, F.;BADESHA, S. S.;FLITSCH, W.;GOEZOGUL, R.;INEL, O.;INEL, S.;JONES,+, CHIM. ACTA TURC., 1981, 9, N 1, 225-237

  摘要：

  DOI：
• 作为产物：
  描述：

  1,1-(2,5-二甲基呋喃-3,4-二基)二乙酮 在 一水合肼 、 溶剂黄146 、 N,N-二甲基甲酰胺 、 sodium nitrite 作用下， 反应 2.0h， 生成 1,4,5,7-tetramethyl-6H-pyrrolo[3,4-d]pyridazine
  参考文献：
  名称：

  793.某些1：4-二羰基体系与肼的反应

  摘要：

  DOI：

  10.1039/jr9570003997

文献信息

• [EN] COMPOUNDS AND COMPOSITIONS AS INDUCERS OF KERATINOCYTE DIFFERENTIATION<br/>[FR] COMPOSES ET COMPOSITIONS EN TANT QU'INDUCTEURS DE LA DIFFERENCIATION DE KERATINOCYTES
  申请人：IRM LLC

  公开号：WO2005107760A1

  公开（公告）日：2005-11-17

  The invention provides compounds, pharmaceutical compositions comprising such compounds and methods of using such compounds to induce undifferentiated keratinocytes to differentiate into terminally differentiated keratinocytes. The invention further provides compounds for the treatment of diseases or disorders associated with casein kinase II (CK2), TANK-binding kinase 1 (TBK1) and NIMA-related kinase 9 (NEK9).

  这项发明提供了化合物、包含这些化合物的药物组合物以及使用这些化合物诱导未分化角质细胞分化为终末分化角质细胞的方法。该发明还提供了用于治疗与酪蛋白激酶II（CK2）、TANK结合激酶1（TBK1）和NIMA相关激酶9（NEK9）相关的疾病或疾病的化合物。
• [EN] COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS<br/>[FR] COMPOSES ET COMPOSITIONS TENANT LIEU D'INHIBITEURS DE LA PROTEINE KINASE
  申请人：IRM LLC

  公开号：WO2005080393A1

  公开（公告）日：2005-09-01

  The invention provides a novel class of compounds, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with abnormal or deregulated kinase activity, particularly diseases or disorders that involve abnormal activation of the FAK, Abl, BCR-Abl, PDGF-R, c-Kit, NPM-ALK, Flt-3, JAK2 and c-Met kinases.

  该发明提供了一类新型化合物，包括这些化合物的药物组合物以及使用这些化合物治疗或预防与异常或失调的激酶活性相关的疾病或障碍的方法，特别是涉及FAK、Abl、BCR-Abl、PDGF-R、c-Kit、NPM-ALK、Flt-3、JAK2和c-Met激酶异常激活的疾病或障碍。
• Treatment of neuropathic pain with 6h-pyrrolo[3,4-d]pyridazine compounds
  申请人：Anker Burke Naomi

  公开号：US20060154929A1

  公开（公告）日：2006-07-13

  6H-pyrrolo[3,4-d]pyridazine compounds and methods of their use of as ligands of voltage gated calcium channels (VGCC), useful in the treatment of neuropathic pain, and psychiatric and mood disorders such as, for example, schizophrenia, anxiety, depression, panic, and bipolar disorder, as well as in the treatment of pain, Parkinson's disease, cognitive dysfunction, epilepsy, circadian rhythm disorders, drug addiction, drug abuse, drug withdrawal and other.

  6H-吡咯并[3,4-d]吡嗪化合物及其作为电压门控钙通道（VGCC）配体的使用方法，可用于治疗神经病性疼痛、精神和情绪障碍，例如精神分裂症、焦虑、抑郁、惊恐和双相情感障碍，以及治疗疼痛、帕金森病、认知功能障碍、癫痫、昼夜节律紊乱、药物成瘾、药物滥用、戒断症状等。
• Triazolo-Pyridazine Compounds and Derivatives Thereof Useful in the Treatment of Neuropathic Pain
  申请人：Lebsack D. Alec

  公开号：US20070213338A1

  公开（公告）日：2007-09-13

  The present invention is directed to a method of use of triazolo-pyridazine compounds in the treatment of neuropathic pain. The present invention is also directed to the use of triazolo-pyridazine compounds in the treatment of psychiatric and mood disorders such as, for example, schizophrenia, anxiety, depression, bipolar disorders, and panic, as well as in the treatment of pain, Parkinson's disease, cognitive dysfunction, epilepsy, circadian rhythm and sleep disorders—such as shift-work induced sleep disorder and jet-lag, drug addiction, drug abuse, drug withdrawal and other diseases. The present invention is also directed to novel triazolo-pyridazine compounds that selectively bind to α 2 δ-1 subunit of Ca channels.

  本发明涉及一种使用三唑并吡嗪化合物治疗神经病性疼痛的方法。本发明还涉及使用三唑并吡嗪化合物治疗精神和情绪障碍，例如精神分裂症、焦虑、抑郁、双相障碍和惊恐症，以及治疗疼痛、帕金森病、认知功能障碍、癫痫、昼夜节律和睡眠障碍（例如倒班引起的睡眠障碍和时差反应）、药物成瘾、药物滥用、药物戒断和其他疾病的方法。本发明还涉及新型的三唑并吡嗪化合物，它们能够选择性地结合到Ca通道的α2δ-1亚基上。
• Compounds and Compositions as Protein Kinase Inhibitors
  申请人：Choi Ha-Soon

  公开号：US20070225306A1

  公开（公告）日：2007-09-27

  The invention provides a novel class of compounds, pharmaceutical compositions comprising such compounds and methods of using such compounds to treat or prevent diseases or disorders associated with abnormal or deregulated kinase activity, particularly diseases or disorders that involve abnormal activation of the FAK, Abl, BCR-Abl, PDGF-R, c-Kit, NPM-ALK, Flt-3, JAK2 and c-Met kinases.

  这项发明提供了一类新型化合物，包括这些化合物的药物组合物和使用这些化合物治疗或预防与异常或非调节性激酶活性相关的疾病或障碍的方法，特别是涉及FAK、Abl、BCR-Abl、PDGF-R、c-Kit、NPM-ALK、Flt-3、JAK2和c-Met激酶异常激活的疾病或障碍。