1,5-二甲基-1H-咪唑-4-甲醛 | 368833-94-7

• 物质功能分类: 生物 - 细胞培养 - 添加剂
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 1,5-二甲基-1H-咪唑-4-甲醛
• 英文名称: 1,4-dimethyl-1H-imidazole-5-carbaldehyde
• 英文别名: 3,5-dimethyl-3H-imidazole-4-carbaldehyde；3,5-Dimethyl-3H-imidazol-4-carbaldehyd；3,5-dimethylimidazole-4-carbaldehyde
• CAS: 368833-94-7
• 化学式: C₆H₈N₂O
• mdl: MFCD10700244
• 分子量: 124.142
• InChiKey: FPIUOFIMKXDZHM-UHFFFAOYSA-N

物化性质

• 沸点：
  307.9±22.0 °C(Predicted)
• 密度：
  1.11±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  9
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  34.9
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  1,5-二甲基-1H-咪唑-4-甲醛 、 1-(thiazol-2-yl)-2-(triphenyl-λ⁵-phosphanylidene)ethan-1-one 反应 120.0h， 以50%的产率得到(E)-3-(1,4-dimethyl-1H-imidazol-5-yl)-1-(thiazol-2-yl)prop-2-en-1-one
  参考文献：
  名称：

  [EN] COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY
  [FR] COMPOSITIONS ET PROCÉDÉS DE MODULATION DE L'ACTIVITÉ DE LA DÉSHYDROGÉNASE À CHAÎNE COURTE

  摘要：

  本文描述的15-PGDH抑制剂包括化合物和调节15-PGDH活性的方法，调节组织前列腺素水平，治疗疾病、疾病障碍或需要调节15-PGDH活性和/或前列腺素水平的情况。

  公开号：

  WO2016168472A1
• 作为产物：
  描述：

  (3,5-dimethyl-3H-imidazol-4-yl)-methanol 在 manganese(IV) oxide 作用下， 以 四氢呋喃 为溶剂， 反应 42.0h， 生成 1,5-二甲基-1H-咪唑-4-甲醛
  参考文献：
  名称：

  Novel farnesyl protein transferase inhibitors as antitumor agents

  摘要：

  揭示了由式（1.0）表示的新型三环化合物： 1 及其药学上可接受的盐或溶剂。这些化合物对于抑制法尼西基蛋白转移酶是有用的。还揭示了包括式1.0化合物的药物组合物。还揭示了使用式1.0化合物治疗癌症的方法。

  公开号：

  US20040122018A1

文献信息

• Benzoamide piperidine containing compounds and related compounds
  申请人：——

  公开号：US20030087925A1

  公开（公告）日：2003-05-08

  The present invention relates to certain benzoamide piperidine containing compounds and related compounds that exhibit activity as NK-1 receptor antagonists, (e.g., substance P receptor antagonists), to pharmaceutical compositions containing them, and to their use in the treatment and prevention of central nervous system disorders, inflammatory disorders, cardiovascular disorders, ophthalmic disorders, gastrointestinal disorders, disorders caused by helicobacter pylori, disorders of the immune system, urinary incontinence, pain, migraine, emesis, angiogenesis and other disorders.

  本发明涉及某些含有苯甲酰胺哌啶类化合物和相关化合物，这些化合物表现出作为NK-1受体拮抗剂（例如，物质P受体拮抗剂）的活性，以及含有它们的药物组合物，以及它们在治疗和预防中枢神经系统疾病、炎症性疾病、心血管疾病、眼科疾病、消化系统疾病、幽门螺杆菌引起的疾病、免疫系统疾病、尿失禁、疼痛、偏头痛、呕吐、血管生成和其他疾病的治疗中的用途。
• 3-Cyanoquinoline inhibitors of Tpl2 kinase and methods of making and using the same
  申请人：Green Jeffrey Neal

  公开号：US20060264460A1

  公开（公告）日：2006-11-23

  The present invention provides compounds of formula (I): and pharmaceutically acceptable salts thereof, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , R 7 , R 8 , m and n are defined as described herein. The invention also provides methods of making the compounds of formula (I), and methods of treating inflammatory diseases, such as rheumatoid arthritis, in a mammal comprising administering a therapeutically effective amount of a compound of formula (I) to the mammal.

  本发明提供了如下式（I）的化合物及其药用可接受的盐，其中R1、R2、R3、R4、R5、R6、R7、R8、m和n的定义如本文所述。该发明还提供了制备如式（I）化合物的方法，以及治疗炎症性疾病（如类风湿性关节炎）的方法，包括向哺乳动物施用如式（I）化合物的治疗有效量。
• LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS AND PREPARATION METHOD THEREFOR
  申请人：Wuhan LL Science And Technology Development Co., Ltd.

  公开号：EP3912975A1

  公开（公告）日：2021-11-24

  The present invention belongs to the technical field of pharmaceutical chemistry, and specifically relates to lysophosphatidic acid receptor antagonists and a preparation method therefor. The compounds of the present invention have high LPAR1 antagonist activity and selectivity, low toxicity, good metabolic stability, promising pharmaceutical development prospects, and may be used for preventing or treating LPAR1-related diseases or illnesses. The IC50 values of some of the compounds may be as low as 300nM or below, even 50nM or below. In addition, the compounds all have good safety, and the CC50 value range may be as high as 200µM or above. Furthermore, the compounds have good metabolic stability in humans, mice and rats, and such excellent inhibitory activity is very promising for their application as LPAR1 inhibitors in the described diseases and illnesses. The preparation method for the compounds is simple, has mild reaction conditions and high product yield, and is suitable for industrial production.

  本发明属于药物化学技术领域，具体涉及溶血磷脂酸受体拮抗剂及其制备方法。本发明的化合物具有较高的 LPAR1 拮抗剂活性和选择性，毒性低，代谢稳定性好，医药开发前景广阔，可用于预防或治疗 LPAR1 相关疾病。其中一些化合物的 IC50 值可低至 300nM 或以下，甚至 50nM 或以下。此外，这些化合物都具有良好的安全性，其 CC50 值范围可高达 200µM 或以上。此外，这些化合物在人、小鼠和大鼠体内具有良好的代谢稳定性，如此优异的抑制活性非常有利于它们作为 LPAR1 抑制剂应用于所述疾病和病症中。这些化合物的制备方法简单，反应条件温和，产物收率高，适合工业化生产。
• Hubball; Pyman, Journal of the Chemical Society, 1928, p. 28
  作者：Hubball、Pyman

  DOI：——

  日期：——
• Inhibition of Tpl2 kinase and TNFα production with quinoline-3-carbonitriles for the treatment of rheumatoid arthritis
  作者：Yonghan Hu、Neal Green、Lori K. Gavrin、Kristin Janz、Neelu Kaila、Huan-Qiu Li、Jennifer R. Thomason、John W. Cuozzo、J. Perry Hall、Sang Hsu、Cheryl Nickerson-Nutter、Jean-Baptiste Telliez、Lih-Ling Lin、Steve Tam

  DOI：10.1016/j.bmcl.2006.08.102

  日期：2006.12

  The synthesis and structure-activity studies of a series of quinoline-3-carbonitriles as inhibitors of Tpl2 kinase are described. Potent inhibitors of Tpl2 kinase with selectivity against a panel of selected kinases in enzymatic assays and specificity in cell-based phosphorylation assays in LPS-treated human monocytes were identified. Selected inhibitors with moderate activity in human whole blood assay effectively inhibited LPS/D-Gal induced TNFalpha release when administered intraperitoneally in mice.