7-氯-1,3-二甲基-1H-吡唑[4,3-D]嘧啶 | 89239-18-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡唑并嘧啶类
• 中文名称: 7-氯-1,3-二甲基-1H-吡唑[4,3-D]嘧啶
• 中文别名: 7-氯-1,3-二甲基-1H-吡唑并[4,3-d]嘧啶
• 英文名称: 7-chloro-1,3-dimethyl-1H-pyrazolo<4,3-d>pyrimidine
• 英文别名: 7-chloro-1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidine；7-chloro-1,3-dimethylpyrazolo[4,3-d]pyrimidine
• CAS: 89239-18-9
• 化学式: C₇H₇ClN₄
• mdl: MFCD10000616
• 分子量: 182.612
• InChiKey: UDAJKLRGHKQVTN-UHFFFAOYSA-N

物化性质

• 熔点：
  87-90 °C
• 沸点：
  310.0±37.0 °C(Predicted)
• 密度：
  1.51±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.3
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  43.6
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  7-氯-1,3-二甲基-1H-吡唑[4,3-D]嘧啶 在 盐酸 、 N,N-二异丙基乙胺 作用下， 以 1,4-二氧六环 、 乙醇 、 二氯甲烷 为溶剂， 生成 rac-N-(1-(4-((3,4-dichlorophenyl)sulfonyl)piperazin-1-yl)propan-2-yl)-1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidin-7-amine
  参考文献：
  名称：

  Discovery of a Potent, Selective, and Orally Bioavailable Tool Compound for Probing the Role of Lysophosphatidic Acid Type 2 Receptor Antagonists in Fibrotic Disorders

  摘要：

  DOI：

  10.1021/acs.jmedchem.2c02087
• 作为产物：
  描述：

  1,3-dimethyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one 在 五氯化磷 、 三氯氧磷 作用下， 反应 3.0h， 以5.5 g的产率得到7-氯-1,3-二甲基-1H-吡唑[4,3-D]嘧啶
  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

文献信息

• [EN] MODULATORS OF THE INTEGRATED STRESS PATHWAY<br/>[FR] MODULATEURS DE LA VOIE DE RÉPONSE INTÉGRÉE AU STRESS
  申请人：CALICO LIFE SCIENCES

  公开号：WO2017193063A1

  公开（公告）日：2017-11-09

  Provided herein are compounds, compositions, and methods useful for modulating the integrated stress response (ISR) and for treating related diseases; disorders and conditions.

  本文提供了用于调节综合应激反应（ISR）并治疗相关疾病、疾患和症状的化合物、组合物和方法。
• NEW BIS-AMIDO PYRIDINES
  申请人：REISER Ulrich

  公开号：US20150057286A1

  公开（公告）日：2015-02-26

  This invention relates to bis-amido pyridines of general formula (I) their use as SMAC mimetics, pharmaceutical compositions containing them, and their use as a medicaments for the treatment and/or prevention of diseases characterized by excessive or abnormal cell proliferation and associated conditions such as cancer. The groups R 1 to R 4 have the meanings given in the claims and in the specification.

  这项发明涉及一般式（I）的双酰胺吡啶，其作为SMAC模拟物的用途，含有它们的药物组合物，以及它们作为治疗和/或预防由细胞过度或异常增殖引起的疾病及相关症状（如癌症）的药物的用途。R1至R4基团的含义如索赔和说明书中所述。
• [EN] NEW 6-ALKYNYL PYRIDINE<br/>[FR] NOUVELLE 6-ALCYNYLE PYRIDINE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2015025019A1

  公开（公告）日：2015-02-26

  This invention relates to 6-alkynyl-pyridine of general formula (I), their use as SMAC mimetics, pharmaceutical compositions containing them, and their use as a medicaments for the treatment and/or prevention of diseases characterized by excessive or abnormal cell proliferation and associated conditions such as cancer. The groups R1 to R5 have the meanings given in the claims and in the specification.

  这项发明涉及一般式(I)的6-炔基吡啶，它们作为SMAC模拟物的用途，含有它们的药物组合物，以及它们作为治疗和/或预防由细胞过度或异常增殖引起的疾病及相关症状（如癌症）的药物的用途。基团R1至R5的含义如索赔和说明书中所述。
• New 6-Alkynyl Pyridine
  申请人：REISER Ulrich

  公开号：US20150057295A1

  公开（公告）日：2015-02-26

  This invention relates to 6-alkynyl-pyridine of general formula (I) their use as SMAC mimetics, pharmaceutical compositions containing them, and their use as a medicaments for the treatment and/or prevention of diseases characterized by excessive or abnormal cell proliferation and associated conditions such as cancer. The groups R 1 to R 5 have the meanings given in the claims and in the specification.

  这项发明涉及一般式(I)的6-炔基吡啶，其用作SMAC拟体，含有它们的药物组合物，以及它们作为治疗和/或预防由细胞过度或异常增殖引起的疾病及相关症状（如癌症）的药物的用途。R1至R5基团的含义如索赔和说明书中所述。
• [EN] NEW BIS-AMIDO PYRIDINES<br/>[FR] NOUVEAUX BIS-AMIDO PYRIDINES
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2015025018A1

  公开（公告）日：2015-02-26

  This invention relates to bis-amidopyridinesof general formula (I) their use as SMAC mimetics, pharmaceutical compositions containing them, and their use as a medicaments for the treatment and/or prevention of diseases characterized by excessive or abnormal cell proliferation and associated conditions such as cancer. The groups R1 to R4 have the meanings given in the claims and in the specification.

  这项发明涉及一般式（I）的双酰胺吡啶类化合物，它们作为SMAC模拟物的用途，含有它们的药物组合物，以及它们作为治疗和/或预防由细胞过度或异常增殖引起的疾病及相关症状（如癌症）的药物的用途。基团R1到R4的含义如权利要求和说明书中所述。