ethyl 1-(4-carboxyphenyl)-5-methyl-pyrazole-4-carboxylate | 877675-70-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: ethyl 1-(4-carboxyphenyl)-5-methyl-pyrazole-4-carboxylate
• 英文别名: 4-[4-(ethoxycarbonyl)-5-methyl-1H-pyrazol-1-yl]benzoic acid；4-(4-ethoxycarbonyl-5-methylpyrazol-1-yl)benzoic acid
• CAS: 877675-70-2
• 化学式: C₁₄H₁₄N₂O₄
• mdl: MFCD09043213
• 分子量: 274.276
• InChiKey: VMHFVWNBYSYVMF-UHFFFAOYSA-N

物化性质

• 沸点：
  436.0±35.0 °C(Predicted)
• 密度：
  1.28±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.214
• 拓扑面积：
  81.4
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  ethyl 1-(4-carboxyphenyl)-5-methyl-pyrazole-4-carboxylate 、 (S)-(pyrrolidinemethyl)pyrrolidine 在 O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate 、 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 5-methyl-1-[4-(2-(S)-pyrrolidin-1-ylmethyl-pyrrolidine-1-carbonyl)-phenyl]-1H-pyrazole-4-carboxylic acid ethyl ester
  参考文献：
  名称：

  [EN] HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES
  [FR] AGENTS RÉCEPTEURS DE L'HISTAMINE H3, PRÉPARATION ET UTILISATIONS THÉRAPEUTIQUES

  摘要：

  本发明提供了一种新的化合物式(I)或其药学上可接受的盐，具有组胺H3受体拮抗剂或反向激动剂活性，以及制备此类化合物的方法。在另一种实施方案中，本发明还公开了包括化合物式(I)的制药组合物，以及使用它们治疗肥胖症、认知缺陷、嗜睡症和其他组胺H3受体相关疾病的方法。

  公开号：

  WO2006023462A1

文献信息

• Inhibitors of 15-hydroxyprostaglandin dehydrogenase for stimulating pigmentation of the skin or skin appendages
  申请人：Michelet Jean-Francois

  公开号：US20060034786A1

  公开（公告）日：2006-02-16

  Inhibitors of 15-hydroxyprostaglandin dehydrogenase (15-PGDH), for example tetrazole, styrylpyrazole, phenylfuran, phenylthiophene, phenylpyrrazole, pyrazolecarboxamide, 2-thioacetamide and azo compounds, are useful for promoting or stimulating pigmentation of the skin and/or skin appendages and/or for preventing and/or for limiting depigmentation and/or whitening of the skin and/or skin appendages, notably for preventing and/or limiting canities.

  15-羟基前列腺素脱氢酶（15-PGDH）的抑制剂，例如四唑、苯基吡唑、苯基呋喃、苯基噻吩、苯基吡唑、吡唑羧酰胺、2-硫代乙酰胺和偶氮化合物，可用于促进或刺激皮肤和/或皮肤附属物的色素沉淀和/或预防和/或限制皮肤和/或皮肤附属物的脱色和/或变白，特别是用于预防和/或限制白发。
• AMIDE DERIVATIVE AND USE THEREOF
  申请人：Ushio Hiroyuki

  公开号：US20130211075A1

  公开（公告）日：2013-08-15

  The present invention relates to a novel amide derivative. More specifically, the present invention provides a medicinal agent useful as a prophylactic or therapeutic agent for diseases, which relies on the production of cytokines from T cells, and which comprises an amide derivative or a pharmacologically acceptable salt thereof or a solvate of the derivative or the pharmacologically acceptable salt as an active ingredient. Provided is an amide derivative represented by general formula (I) [wherein each symbol is as defined in the description] or a pharmacologically acceptable salt thereof, or a solvate of the derivative or the pharmacologically acceptable salt.

  本发明涉及一种新型酰胺衍生物。更具体地说，本发明提供了一种药用剂，可用作依赖于T细胞产生细胞因子的疾病的预防或治疗剂，该药用剂包括酰胺衍生物或其药理学上可接受的盐或该衍生物或药理学上可接受的盐的溶剂的溶剂作为活性成分。提供的是由通式(I)所表示的酰胺衍生物[其中每个符号如描述中所定义]或其药理学上可接受的盐，或该衍生物或药理学上可接受的盐的溶剂。
• Composition for caring for the hair or the eyelashes, containing a pyrazolecarboxamide compound, use thereof for stimulating the growth of the hair and the eyelashes and/or for reducing their loss
  申请人：SOCIETE L'OREAL, S.A.

  公开号：US20040235831A1

  公开（公告）日：2004-11-25

  The invention relates to a composition for caring for or making up the hair or the eyelashes, which is intended to limit their loss and/or to increase their density, and containing a pyrazole compound of formula (I), or a salt thereof: 1 in which: R 1 and R 2 represent H; an optionally substituted C 1 -C 20 alkyl; or at least one ring optionally containing at least one hetero atom, these rings possibly being fused, comprising a carbonyl or thiocarbonyl function, and possibly being substituted; R 3 and R 5 represent H, a halogen, OR 6 , SR 6 , NR 6 R′ 6 , CN, CF 3 , COR 6 , CSR 6 , COOR 6 , COSR 6 , CSOR 6 , CSSR 6 , NR 6 COR′ 6 , NR 6 CSR′ 6 , OCOR 6 , SCOR 6 , CSNR 6 R′ 6 , SO 2 R 6 , SO 2 NR 6 R′ 6 , NR 6 SO 2 R′ 6 , NR 6 C(═NR′ 6 )NR″ 6 R′″ 6 , SiR 6 R′ 6 R″ 6 , A or at least one ring optionally containing at least one hetero atom, these rings possibly being fused, comprising a carbonyl or thiocarbonyl function and possibly being substituted; R 4 represents H, A, COR 6 , CSR 6 , COOR 6 , CONR 6 R′ 6 , CSNR 6 R′ 6 , SO 2 R 6 , SO 2 NR 6 R′ 6 or at least one ring optionally containing a hetero atom, these rings possibly being fused, comprising a carbonyl or thiocarbonyl function, and possibly being substituted; R 6 , R′ 6 , R″ 6 and R′″ 6 represent H; an optionally substituted C 1 -C 20 alkyl; at least one ring optionally containing at least one hetero atom, these rings possibly being fused, comprising a carbonyl or thiocarbonyl function, and possibly being substituted with at least one substituent R; A represents an optionally substituted C 1 -C 20 alkyl.

  本发明涉及一种用于护理或化妆头发或睫毛的组合物，旨在限制它们的脱落和/或增加它们的密度，并含有式（I）的吡唑化合物或其盐： 其中，R1和R2代表H；一个可选地取代的C1-C20烷基；或至少一个环，可选地含有至少一个杂原子，这些环可能被融合，包括一个羰基或硫代羰基功能，并可能被取代；R3和R5代表H，卤素，OR6，SR6，NR6R′6，CN，CF3，COR6，CSR6，COOR6，COSR6，CSOR6，NR6COR′6，NR6CSR′6，OCOR6，SCOR6，CSNR6R′6，SO2R6，SO2NR6R′6，NR6SO2R′6，NR6C(═NR′6)NR″6R′″6，SiR6R′6R″6，A或至少一个环，可选地含有至少一个杂原子，这些环可能被融合，包括一个羰基或硫代羰基功能，并可能被取代；R4代表H，A，COR6，CSR6，COOR6，CONR6R′6，CSNR6R′6，SO2R6，SO2NR6R′6或至少一个环，可选地含有一个杂原子，这些环可能被融合，包括一个羰基或硫代羰基功能，并可能被取代；R6，R′6，R″6和R′″6代表H；一个可选地取代的C1-C20烷基；至少一个环，可选地含有至少一个杂原子，这些环可能被融合，包括一个羰基或硫代羰基功能，并可能被取代至少一个取代基R；A代表一个可选地取代的C1-C20烷基。
• HISTAMINE H3 RECEPTOR AGENTS, PREPARATION AND THERAPEUTIC USES
  申请人：Finley Don Richard

  公开号：US20090048225A1

  公开（公告）日：2009-02-19

  The present invention provides a novel compound of Formula (I) or a pharmaceutically acceptable salt thereof, having histamine-H3 receptor antagonist or inverse agonist activity, as well as methods for preparing such compounds. In another, embodiment, the invention discloses pharmaceutical compositions comprising compounds of Formula (I) as well as methods of using them to treat obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases.

  本发明提供一种新型化合物(I)或其药学上可接受的盐，具有组胺H3受体拮抗剂或反向激动剂的活性，以及制备这种化合物的方法。在另一种实施方式中，本发明揭示了包含化合物(I)的药物组合物，以及使用它们治疗肥胖症、认知缺陷、嗜睡症和其他组胺H3受体相关疾病的方法。
• Histamine H3 Receptor Agents, Preparation and Therapeutic Uses
  申请人：FINLEY Don Richard

  公开号：US20100029608A1

  公开（公告）日：2010-02-04

  The present invention provides a novel compound of Formula (I) or a pharmaceutically acceptable salt thereof, having histamine-113 receptor antagonist or inverse agonist activity, as well as methods for preparing such compounds. In another, embodiment, the invention discloses pharmaceutical compositions comprising compounds of Formula (I) as well as methods of using them to treat obesity, cognitive deficiencies, narcolepsy, and other histamine H3 receptor-related diseases.

  本发明提供了一种新的化合物（I）或其药学上可接受的盐，具有组胺113受体拮抗剂或反向激动剂活性，以及制备这种化合物的方法。在另一种实施方式中，本发明揭示了包含化合物（I）的制药组合物，以及使用它们治疗肥胖症、认知缺陷、嗜睡症和其他组胺H3受体相关疾病的方法。