5-methyl-1-phenylpyrazole-4-acetic acid | 75239-13-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-methyl-1-phenylpyrazole-4-acetic acid
• 英文别名: (5-methyl-1-phenyl-1H-pyrazol-4-yl)acetic acid；2-(3-methyl-2-N-phenylpyrazol-4-yl)acetic acid；2-(5-methyl-1-phenyl-1H-pyrazol-4-yl)acetic acid；2-(5-methyl-1-phenylpyrazol-4-yl)acetic acid
• CAS: 75239-13-3
• 化学式: C₁₂H₁₂N₂O₂
• mdl: MFCD00138995
• 分子量: 216.239
• InChiKey: BOIRQPUZOOBVAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.166
• 拓扑面积：
  55.1
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  [4-(3,4-dichlorobenzyl)morpholin-2-yl]methylamine 、 5-methyl-1-phenylpyrazole-4-acetic acid 以to give the title compound (0.014 g)的产率得到N-{[4-(3,4-Dichlorobenzyl)morpholin-2-yl]methyl}-2-(5-methyl-1-phenyl-1H-pyrazol-4-yl)acetamide
  参考文献：
  名称：

  Morpholin-acetamide derivatives for the treatment of inflammatory diseases

  摘要：

  本发明涉及一种新型的吗啡啶酰胺化合物（I式），其可用于治疗炎症性疾病。化合物（I式）中，R1、R2、R3、R4、R5、X、a、b和Z的定义见说明书，本发明还涉及制备这些化合物的方法、含有它们的制剂以及它们在治疗炎症性疾病中的应用。

  公开号：

  US07101882B2
• 作为产物：
  描述：

  ethyl 3-ethoxymethylene-2,4-dioxovalerate 在 氢氧化钾 、 盐酸肼 作用下， 以 乙醚 、 乙醇 、 水 为溶剂， 反应 16.0h， 生成 5-methyl-1-phenylpyrazole-4-acetic acid
  参考文献：
  名称：

  Kurihara, Takushi; Uno, Toshiko; Sakamoto, Yasuhiko, Journal of Heterocyclic Chemistry, 1980, vol. 17, p. 231 - 233

  摘要：

  DOI：

文献信息

• Morpholin-acetamide derivatives for the treatment of inflammatory diseases
  申请人：——

  公开号：US20040058923A1

  公开（公告）日：2004-03-25

  Compounds of formula (I) wherein: R 1 represents C 1-16 alkyl, C 2-6 alkenyl, C 2-6 alkynyl, C 2-6 alkynyl-Y 1 —, aryl-Y 1 —, heteroaryl-Y 1 —, aryl-(O) t -aryl-Y 1 —, aryl-(O) t -heteroaryl-Y 1 —, heteroaryl-(O) t -aryl-Y 1 —, heteroaryl-(O) t -heteroaryl-Y 1 —, C 2-6 alkenyl-Y 1 —, aryl-O—Y 1 —, heteroaryl-O—Y 1 —, C 1-16 alkyl-SO 2 —Y 1 —,M—Y 1 —,J 2 -Y 1 —, —CN or C 3-8 cycloalkyl-Y 1 — or C 3-8 cycloalkenyl-Y 1 —, which cycloalkyl or cycloalkenyl may be optionally substituted by one or more hydroxyl or C 1-16 Alkyl groups; R 2 represents hydrogen or C 1-16 alkyl; X represents ethylene or a group of formula CR e R f wherein R e and R f independently represent hydrogen or C 1-14 alkyl or R e and R f may together with the carbon atom to which they are attached form a C 3-8 cycloalkyl group; R 3 and R 4 independently represent hydrogen or C 1-14 alkyl; Z represents a bond, CO, SO 2 , CR 9 R 6 (CH 2 ) n , (CH 2 ) n CR 9 R 6 , CHR 6 (CH 2 ) n O, CHR 6 (CH 2 ) n S, CHR 6 (CH 2 ) n OCO, CHR 6 (CH 2 ) n CO, COCHR 6 (CH 2 ) n or SO 2 CHR 6 (CH 2 ) n ; n represents an integer from 0 to 4; processes for preparing them, formulations containing them and their use in therapy for the treatment of inflammatory diseases. 1

  式(I)的化合物，其中：R1代表C1-16烷基，C2-6烯基，C2-6炔基，C2-6炔基-Y1—，芳基-Y1—，杂环芳基-Y1—，芳基-(O)t-芳基-Y1—，芳基-(O)t-杂环芳基-Y1—，杂环芳基-(O)t-芳基-Y1—，杂环芳基-(O)t-杂环芳基-Y1—，C2-6烯基-Y1—，芳基-O—Y1—，杂环芳基-O—Y1—，C1-16烷基-SO2—Y1—，M—Y1—，J2-Y1—，—CN或C3-8环烷基-Y1—或C3-8环烯基-Y1—，其中环烷基或环烯基可以选择地被一个或多个羟基或C1-16烷基基团取代；R2代表氢或C1-16烷基；X代表乙烯或公式CReRf的基团，其中Re和Rf独立地代表氢或C1-14烷基，或Re和Rf可以与它们连接的碳原子一起形成C3-8环烷基基团；R3和R4独立地代表氢或C1-14烷基；Z代表键，CO，SO2，CR9R6(CH2)n，(CH2)nCR9R6，CHR6(CH2)nO，CHR6(CH2)nS，CHR6(CH2)nOCO，CHR6(CH2)nCO，COCHR6(CH2)n或SO2CHR6(CH2)n；n代表一个从0到4的整数；它们的制备方法，包含它们的配方以及它们在治疗炎症性疾病中的用途。
• 2,4-substituted pyrrolidine derivatives-CCR-3 receptor antagonists
  申请人：——

  公开号：US20020198255A1

  公开（公告）日：2002-12-26

  This invention relates to certain 2,4-substituted pyrrolidine derivatives that are CCR-3 receptor antagonists, pharmaceutical compositions containing them, methods for their use and methods for preparing these compounds.

  本发明涉及某些2,4-取代吡咯烷衍生物，它们是CCR-3受体拮抗剂，包含它们的制药组合物，使用它们的方法以及制备这些化合物的方法。
• Substituted piperidine compounds useful as modulators of chemokine receptor activity
  申请人：Thom Stephen

  公开号：US20050250792A1

  公开（公告）日：2005-11-10

  The invention provides compounds of formula (I): wherein R 1 , R 2 , R 3 , R 6 , Z, Q, m, n, X 1 , X 2 , X 3 , X 4 and T are as defined in the specification, processes for their preparation, pharmaceutical compositions containing them, and their use in therapy, especially for the treatment of chemokine receptor related diseases and conditions.

  本发明提供了公式(I)的化合物：其中R1，R2，R3，R6，Z，Q，m，n，X1，X2，X3，X4和T如规范中所定义，以及它们的制备方法，含有它们的药物组合物，并用于治疗，特别是用于治疗趋化因子受体相关疾病和病况。
• Process for the preparation of morpholine derivatives and intermediates therefore
  申请人：Hayes Alistair Martin

  公开号：US20050222147A1

  公开（公告）日：2005-10-06

  Processes for the preparation of a compound of formula (IIIA) or a salt thereof are disclosed.

  本发明揭示了制备式（IIIA）化合物或其盐的过程。
• Pyrazole Derivatives as P2X7 Modulators
  申请人：Beswick Paul John

  公开号：US20110046137A1

  公开（公告）日：2011-02-24

  The present invention relates to a compound of formula (I) or a pharmaceutically acceptable salt thereof: The pyrazole derivatives of formula (I) or salts thereof modulate P2X7 receptor function and are capable of antagonizing the effects of ATP at the P2X7 receptor (P2X7 receptor antagonists). The invention also relates to the use of such compounds or salts, or pharmaceutical compositions thereof, in the treatment or prevention of disorders/diseases mediated by the P2X7 receptor, for example pain, inflammation or a neurodegenerative disease.

  本发明涉及公式(I)的化合物或其药学上可接受的盐：公式(I)的吡唑衍生物或其盐调节P2X7受体功能，能够拮抗ATP在P2X7受体上的作用（P2X7受体拮抗剂）。本发明还涉及使用这些化合物或盐，或其制剂在治疗或预防由P2X7受体介导的疾病/紊乱，例如疼痛，炎症或神经退行性疾病。