ethyl 1-benzyl-5-phenyl-1H-pyrazole-4-carboxylate | 342023-84-1

• 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-benzyl-5-phenyl-1H-pyrazole-4-carboxylate
• 英文别名: 1-benzyl-5-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester；ethyl 1-benzyl-5-phenylpyrazole-4-carboxylate
• CAS: 342023-84-1
• 化学式: C₁₉H₁₈N₂O₂
• 分子量: 306.364
• InChiKey: MBIOTLZLMKYZPM-UHFFFAOYSA-N

物化性质

• 沸点：
  490.1±40.0 °C(Predicted)
• 密度：
  1.12±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  23
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  44.1
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  ethyl 1-benzyl-5-phenyl-1H-pyrazole-4-carboxylate 在 lithium hydroxide 、 sodium hydroxide 、 水 、 盐酸 作用下， 以 四氢呋喃 、 乙醇 、 水 为溶剂， 反应 4.0h， 生成 1-苄基-5-苯基-1H-吡唑-4-甲酸
  参考文献：
  名称：

  WO2007/94513

  摘要：

  公开号：
• 作为产物：
  描述：

  benzylhydrazine dihydrochloride 在 1,1-二甲氧基-N,N-二甲基乙胺 、 三甲胺 作用下， 以 甲苯 、 乙醇 为溶剂， 反应 3.0h， 生成 ethyl 1-benzyl-5-phenyl-1H-pyrazole-4-carboxylate 、 3-Phenyl-1-benzyl-pyrazolcarbonsaeure-(4)-ethylester
  参考文献：
  名称：

  WO2006/82952

  摘要：

  公开号：

文献信息

• Amide Compound
  申请人：Ogino Masaki

  公开号：US20090048258A1

  公开（公告）日：2009-02-19

  The present invention relate to a compound represented by the formula (I) or (II) wherein ring A is an optionally substituted ring (the ring should not be pyrrolidine, piperidine and piperazine), ring B is an optionally substituted aromatic ring, ring D is an optionally substituted ring, R 1 and R 2 are each independently a hydrogen atom or a substituent, R 3 is a hydrogen atom or a C 1-6 alkyl group, or R 3 is bonded to ring A to form a non-aromatic ring, ring Aa is an optionally substituted aromatic hydrocarbon, Y is CH or N, Ra 1 is an optionally substituted hydrocarbon group, and Ra 2 and Ra 3 are each independently a hydrogen atom or a substituent, or a salt thereof. The present invention provides a compound having a DGAT inhibitory activity, which is useful for the treatment or amelioration of diseases or pathologies caused by high expression or high activation of DGAT.

  本发明涉及一种由公式（I）或（II）表示的化合物，其中环A是一个可选的取代环（该环不应为吡咯烷，哌啶和哌嗪），环B是一个可选的取代芳香环，环D是一个可选的取代环，R1和R2分别是氢原子或取代基，R3是氢原子或C1-6烷基，或者R3与环A连接形成非芳香环，环Aa是一个可选的取代芳香烃，Y是CH或N，Ra1是一个可选的取代烃基，Ra2和Ra3分别是氢原子或取代基，或其盐。本发明提供了一种具有DGAT抑制活性的化合物，可用于治疗或改善由高表达或高激活DGAT引起的疾病或病理学。
• 5-membered n-heterocyclic compounds with hypoglycemic and hypolipidemic activity
  申请人：Takeda Pharmaceutical Company Limited

  公开号：US07179823B1

  公开（公告）日：2007-02-20

  A compound of formula (I) F wherein R1 represents a hydrocarbon group which may be substituted or a heterocyclic group which may be substituted; x represents a bond, an oxygen atom, a sulfur atom, or a group of the formula: —CO—, —CS—, —CR4(OR5)— or —NR6— wherein each of R4 and R6 represents a hydrogen atom or a hydrocarbon group which may be stubstituted, R5 represents a hydrogen atom or a protective group for a hydroxyl group; m represents an integer of 0 to 3; Y represents an oxygen atom, a sulfur atom, or a group of the formula: —SO—, —SO2—, —NR7—, —CONR7— or —NR7CO— wherein R7 represents a hydrogen atom or a hydrocarbon group which may be substituted; ring A represents an aromatic ring which may further have 1 to 3 substituents; n represents an integer of 1 to 8; ring B represents a nitrogen-containing 5-membered hetero ring which may further be substituted by an alkyl group.

  化合物的式子为（I）F，其中R1代表一个可以被取代的碳氢基团或杂环基团；x代表一个键、一个氧原子、一个硫原子或者一个式子为：—CO—、—CS—、—CR4(OR5)—或—NR6—的基团，其中R4和R6分别代表一个氢原子或者一个可以被取代的碳氢基团，R5代表一个氢原子或者一个羟基的保护基团；m代表一个0到3的整数；Y代表一个氧原子、一个硫原子或者一个式子为：—SO—、—SO2—、—NR7—、—CONR7—或—NR7CO—的基团，其中R7代表一个氢原子或者一个可以被取代的碳氢基团；环A代表一个芳香环，可以有1到3个取代基；n代表一个1到8的整数；环B代表一个含氮的5元杂环，可以有一个烷基的取代基。
• Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension
  申请人：Kuroita Takanobu

  公开号：US20100121048A1

  公开（公告）日：2010-05-13

  The present invention relates to a compound represented by the formula: (I) wherein ring A is a 5- or 6-membered aromatic heterocycle optionally having substituent (s); U, V and W are each independently C or N, provided that when any one of U, V and W is N, then the others should be C; Ra and Rb are each independently a cyclic group optionally having substituent(s), a C 1-10 alkyl group optionally having substituent(s), a C 2-10 alkenyl group optionally having substituent(s), or a C 2-10 alkynyl group optionally having substituent(s); X is a bond, or a spacer having 1 to 6 atoms in the main chain; Y is a spacer having 1 to 6 atoms in the main chain; Rc is a hydrocarbon group optionally containing heteroatom(s) as the constituting atom(s), which optionally has substituent(s); m and n are each independently 1 or 2; and ring B optionally further has substituent(s), or a salt thereof. The compound of the present invention has excellent renin inhibitory activity, and thus is useful as an agent for the prophylaxis or treatment of hypertension, various organ damages attributable to hypertension, and the like.

  本发明涉及一种由式(I)表示的化合物：其中，环A是一种5或6成员的芳香杂环，可选地具有取代基；U、V和W分别独立地为C或N，但当U、V和W中的任何一个为N时，其他的应为C；Ra和Rb分别独立地为一个环状基团，可选地具有取代基；一个C1-10烷基，可选地具有取代基；一个C2-10烯基，可选地具有取代基；或一个C2-10炔基，可选地具有取代基；X是一条键或具有1到6个原子的主链间隔；Y是具有1到6个原子的主链间隔；Rc是一个含有杂原子作为构成原子的碳氢基团，可选地具有取代基；m和n分别独立地为1或2；环B可选地具有取代基，或其盐。本发明的化合物具有优异的肾素抑制活性，因此可用作预防或治疗高血压、高血压引起的各种器官损伤等的药物。
• 5-membered N-heterocyclic compounds with hypoglycemic and hypolipidemic activity
  申请人：Takeda Chemical Industries, Ltd.

  公开号：EP1457490A1

  公开（公告）日：2004-09-15

  Use of a compound of the formula: wherein R1 represents a hydrocarbon group which may be substituted or a heterocyclic group which may be substituted; X represents a bond, an oxygen atom, a sulfur atom, or a group of the formula: -CO-, -CS-, -CR4(OR5)- or -NR6- wherein each of R4 and R6 represents a hydrogen atom or a hydrocarbon group which may be substituted, R5 represents a hydrogen atom or a protective group for a hydroxyl group; m represents an integer of 0 to 3; Y represents an oxygen atom, a sulfur atom, or a group of the formula: -SO-, -SO2-, -NR7-, -CONR7- or -NR7CO- wherein R7 represents a hydrogen atom or a hydrocarbon group which may be substituted; ring A represents an aromatic ring which may further have 1 to 3 substituents; n represents an integer of 1 to 8; ring B represents a nitrogen-containing 5-membered hetero ring which may further be substituted by an alkyl group; X1 represents a bond, an oxygen atom, a sulfur atom, or a group of the formula: -SO-, -SO2-, -O-SO2- or -NR16- wherein R16 represents a hydrogen atom or a hydrocarbon group which may be substituted; R2 represents a hydrogen atom, a hydrocarbon group which may be substituted or a heterocyclic group which may be substituted; W represents a bond or a divalent hydrocarbon residue having 1 to 20 carbon atoms; R3 represents a group of the formula: -OR8 (R8 represents a hydrogen atom or a hydrocarbon group which may be substituted) or -NR9R10 (each of R9 and R10, whether identical or not, represents a hydrogen atom, a hydrocarbon group which may be substituted, a heterocyclic group which may be substituted, or an acyl group which may be substituted; R9 and R10 may bind together to form a ring); or a salt thereof, for the manufacture of a pharmaceutical preparation for preventing or treating syndrome X.

  式化合物的用途： 其中 R1 代表可被取代的烃基或可被取代的杂环基； X 代表键、氧原子、硫原子或式中的基团：-其中 R4 和 R6 分别代表氢原子或可被取代的烃基，R5 代表氢原子或羟基的保护基团； m 代表 0 至 3 的整数； Y 代表氧原子、硫原子或式中的一个基团：-其中 R7 代表氢原子或可被取代的烃基； 环 A 代表芳香环，可进一步具有 1 至 3 个取代基； n 代表 1 至 8 的整数； 环 B 代表含氮 5 元杂环，可进一步被烷基取代； X1 代表键、氧原子、硫原子或式中的基团：-其中 R16 代表氢原子或可被取代的烃基； R2 代表氢原子、可被取代的烃基或可被取代的杂环基； W 代表键或具有 1 至 20 个碳原子的二价烃残基； R3 代表式中的一个基团：-OR8(R8代表氢原子或可被取代的烃基)或-NR9R10(R9和R10，无论是否相同，各自代表氢原子、可被取代的烃基、可被取代的杂环基或可被取代的酰基；R9和R10可结合在一起形成环)；或其盐、 用于制造预防或治疗 X 综合征的药物制剂。
• AMIDE COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1845081A1

  公开（公告）日：2007-10-17

  The present invention relate to a compound represented by the formula (I) or (II) wherein ring A is an optionally substituted ring (the ring should not be pyrrolidine, piperidine and piperazine), ring B is an optionally substituted aromatic ring, ring D is an optionally substituted ring, R1 and R2 are each independently a hydrogen atom or a substituent, R3 is a hydrogen atom or a C1-6 alkyl group, or R3 is bonded to ring A to form a non-aromatic ring, ring Aa is an optionally substituted aromatic hydrocarbon, Y is CH or N, Ra1 is an optionally substituted hydrocarbon group, and Ra2 and Ra3 are each independently a hydrogen atom or a substituent, or a salt thereof. The present invention provides a compound having a DGAT inhibitory activity, which is useful for the treatment or amelioration of diseases or pathologies caused by high expression or high activation of DGAT.

  本发明涉及由式 (I) 或 (II) 所代表的化合物 其中 环 A 是任选取代的环（该环不应是吡咯烷、哌啶和哌嗪）、 环 B 是任选取代的芳香环 环 D 是任选取代的环、 R1 和 R2 各自独立地为氢原子或取代基、 R3 是氢原子或 C1-6 烷基，或 R3 与环 A 键合形成非芳香环、 环 Aa 是任选取代的芳香烃，Y 是 CH 或 N、 Ra1 是任选取代的烃基，以及 Ra2 和 Ra3 各自独立地为氢原子或取代基、 或其盐。 本发明提供了一种具有 DGAT 抑制活性的化合物，可用于治疗或改善由 DGAT 高表达或高活化引起的疾病或病理现象。