methyl 3-hydroxy-1-phenyl-1H-pyrazole-5-carboxylate | 1140-69-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: methyl 3-hydroxy-1-phenyl-1H-pyrazole-5-carboxylate
• 英文别名: 1-Phenyl-pyrazolon-(3)-carbonsaeure-(5)-methylester；1-Phenyl-3-hydroxy-pyrazol-carbonsaeure-(5)-methylester；1-Phenyl-3-hydroxy-5-pyrazolcarbonsaeure-methylester；5-oxo-2-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylic acid methyl ester；Methyl 5-oxo-2-phenyl-2,5-dihydro-1H-pyrazole-3-carboxylate；methyl 5-oxo-2-phenyl-1H-pyrazole-3-carboxylate
• CAS: 1140-69-8
• 化学式: C₁₁H₁₀N₂O₃
• 分子量: 218.212
• InChiKey: OHGRODHQDWSCFI-UHFFFAOYSA-N

物化性质

• 熔点：
  214 °C(Solv: benzene (71-43-2))
• 密度：
  1.319±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.5
• 重原子数：
  16
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  58.6
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险性防范说明：
  P264,P280,P302+P352,P337+P313,P305+P351+P338,P362+P364,P332+P313
• 危险性描述：
  H315,H319

反应信息

• 作为反应物：
  描述：

  methyl 3-hydroxy-1-phenyl-1H-pyrazole-5-carboxylate 在 羟胺 、 potassium carbonate 、 sodium hydroxide 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 17.5h， 生成 N-hydroxy-3-benzyloxy-1-phenyl-1H-pyrazole-5-carboxamide
  参考文献：
  名称：

  [EN] HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF
  [FR] INHIBITEURS D'HISTONE DÉSACÉTYLASE, ET COMPOSITIONS ET MÉTHODES D'UTILISATION DE CEUX-CI

  摘要：

  提供了某些Formula I的组蛋白去乙酰化酶（HDAC）抑制剂，其组成物以及其使用方法。

  公开号：

  WO2014159214A1
• 作为产物：
  描述：

  methyl 3-benzyloxy-1-phenyl-1H-pyrazole-5-carboxylate 在 palladium-carbon 氢气 、 palladium-carbon 作用下， 以 四氢呋喃 为溶剂， 反应 1.0h， 以methyl 3-hydroxy-1-phenyl-1H-pyrazole-5-carboxylate (10.30 g, yield 97%) was obtained as colorless crystals from a fraction的产率得到methyl 3-hydroxy-1-phenyl-1H-pyrazole-5-carboxylate
  参考文献：
  名称：

  1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity

  摘要：

  化合物的化学式为(1)，其中环A是一个环，可以有1到3个取代基；环B是一个1,2-咪唑环，可以进一步具有1到3个取代基；Xa，Xb和Xc相同或不同，每个都是键，-O-，-S-等；Ya是具有1到20个碳原子的二价脂肪烃残基；Yb和Yc相同或不同，每个都是键或具有1到20个碳原子的二价脂肪烃残基；环C是一个单环芳香环，可以进一步具有1到3个取代基；R代表-OR4（R4是氢原子或可选的取代烃基）等，或其盐或前药，可用作预防或治疗糖尿病等的药物。

  公开号：

  US20060148858A1

文献信息

• [EN] 1,2-AZOLE DERIVATIVES WITH HYPOGLYSEMIC AND HYPOLIPIDEMIC ACTIVITY<br/>[FR] DERIVES 1,2-AZOLE PRESENTANT UNE ACTIVITE HYPOGLYCEMIQUE ET HYPOLIPIDEMIQUE
  申请人：TAKEDA CHEMICAL INDUSTRIES LTD

  公开号：WO2003099793A1

  公开（公告）日：2003-12-04

  A compound represented by the formula (1) wherein ring A is a ring optionally having 1 to 3 substituents; ring B is a 1,2-azole ring which may further have 1 to 3 substituents; Xa, Xb and Xc are the same or different and each is a bond, - O -, - S - and the like; Ya is a divalent aliphatic hydrocarbon residue having 1 to 20 carbon atoms; Yb and Yc are the same or different and each is a bond or a divalent aliphatic hydrocarbon residue having 1 to 20 carbon atoms; ring C is a monocyclic aromatic ring which may further have 1 to 3 substituents; and R represents -OR4 (R4 is hydrogen atom or optionally substituted hydrocarbon group) and the like, or a salt thereof or a prodrug thereof is useful as an agent for the prophylaxis or treatment of diabetes and the like.

  化合物的结构式（1），其中环A是一个环，可选地具有1到3个取代基；环B是一个1,2-唑环，可能进一步具有1到3个取代基；Xa、Xb和Xc相同或不同，每个都是键，-O-，-S-等；Ya是一个具有1到20个碳原子的二价脂肪烃残基；Yb和Yc相同或不同，每个是键或具有1到20个碳原子的二价脂肪烃残基；环C是一个可能进一步具有1到3个取代基的单环芳香环；R代表-OR4（R4是氢原子或可选择地取代的碳氢基团）等，或其盐或前药，可用作糖尿病的预防或治疗剂等。
• FIVE-MEMBERED HETEROCYCLIC COMPOUNDS
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP1541564A1

  公开（公告）日：2005-06-15

  The present invention provides a compound represented by the formula: wherein R1 is an optionally substituted 5-membered heterocyclic group; X, Y and V are the same or different and each is a bond, an oxygen atom, a sulfur atom and the like; Q is a divalent hydrocarbon group having 1 to 20 carbon atoms; ring A is an aromatic ring optionally further having 1 to 3 substituents; Z is -(CH2)n-Z1- or -Z1-(CH2)n- (n is an integer of 0 to 8, Z1 is a bond, an oxygen atom, a sulfur atom and the like); ring B is a nitrogen-containing heterocycle optionally further having 1 to 3 substituents; W is a bond or a divalent hydrocarbon group having 1 to 20 carbon atoms; R2 is a hydrogen atom, a cyano group, -PO(OR9)(OR10) (R9 and R10 are the same or different and each is a hydrogen atom or an optionally substituted hydrocarbon group, and R9 and R10 are optionally bonded to form an optionally substituted ring) and the like, or a salt thereof, which has a superior adipose tissue weight decreasing action, a hypoglycemic action and a hypolipidemic action, and which is useful as an agent for the prophylaxis or treatment of obesity, diabetes mellitus, hyperlipidemia, impaired glucose tolerance, hypertension and the like.

  本发明提供了一种由以下式表示的化合物： 其中R1是可选择地取代的5-成员杂环基团；X、Y和V相同或不同，每个都是键，氧原子，硫原子等；Q是具有1到20个碳原子的二价碳氢基团；环A是一个芳香环，可选择地进一步具有1到3个取代基；Z是-(CH2)n-Z1-或-Z1-( )n-（n是0到8的整数，Z1是键，氧原子，硫原子等）；环B是一个含氮杂环，可选择地进一步具有1到3个取代基；W是键或具有1到20个碳原子的二价碳氢基团；R2是氢原子，氰基，-PO(OR9)(OR10)（R9和R10相同或不同，每个是氢原子或可选择地取代的碳氢基团，R9和R10可选择地结合形成可选择地取代的环）等，或其盐，具有优越的减少脂肪组织重量的作用，降糖作用和降脂作用，并且作为预防或治疗肥胖症，糖尿病，高脂血症，糖耐量受损，高血压等的药剂是有用的。
• Five-membered heterocyclic alkanoic acid derivative
  申请人：——

  公开号：US20040063775A1

  公开（公告）日：2004-04-01

  The present invention relates to a compound represented by the formula 1 wherein R 1 is an optionally substituted 5-membered heterocyclic group; X is a bond etc.; Q is a divalent hydrocarbon group having 1 to 20 carbon atoms; Y is a bond etc.; ring A is an aromatic ring optionally further having 1 to 3 substituents; Z is —(CH 2 ) n —Z 1 — (n is an integer of 0 to 8 and Z 1 is a bond etc.) and the like; ring B is a 5-membered heterocycle optionally further having 1 to 3 substituents; W is a divalent saturated hydrocarbon group having 1 to 20 carbon atoms; R 2 is —OH etc., or a salt thereof. A pharmaceutical composition containing this compound is useful as a prophylactic or therapeutic agent of diseases such as diabetes mellitus and the like.

  本发明涉及一种由式1表示的化合物，其中R1是可选择取代的5元杂环基团; X是一个键等; Q是具有1到20个碳原子的双价碳氢基团; Y是一个键等; 环A是一个芳香环，可选择进一步具有1到3个取代基; Z是—(CH2)n—Z1—(n为0到8的整数，Z1是一个键等)等; 环B是一个可选择进一步具有1到3个取代基的5元杂环; W是具有1到20个碳原子的双价饱和碳氢基团; R2是—OH等，或其盐。包含该化合物的制药组合物可用作糖尿病等疾病的预防或治疗剂。
• Five-membered heterocyclic compounds
  申请人：Momose Yu

  公开号：US20060135578A1

  公开（公告）日：2006-06-22

  The present invention provides a compound represented by the formula: wherein R 1 is an optionally substituted 5-membered heterocyclic group; X, Y and V are the same or different and each is a bond, an oxygen atom, a sulfur atom and the like; Q is a divalent hydrocarbon group having 1 to 20 carbon atoms; ring A is an aromatic ring optionally further having 1 to 3 substituents; Z is —(CH 2 ) n -Z 1 - or -Z 1 -(CH 2 ) n — (n is an integer of 0 to 8, Z 1 is a bond, an oxygen atom, a sulfur atom and the like); ring B is a nitrogen-containing heterocycle optionally further having 1 to 3 substituents; W is a bond or a divalent hydrocarbon group having 1 to 20 carbon atoms; R 2 is a hydrogen atom, a cyano group, —PO(OR 9 )(OR 10 ) (R 9 and R 10 are the same or different and each is a hydrogen atom or an optionally substituted hydrocarbon group, and R 9 and R 10 are optionally bonded to form an optionally substituted ring) and the like, or a salt thereof, which has a superior adipose tissue weight decreasing action, a hypoglycemic action and a hypolipidemic action, and which is useful as an agent for the prophylaxis or treatment of obesity, diabetes mellitus, hyperlipidemia, impaired glucose tolerance, hypertension and the like.

  本发明提供一种化合物，其化学式表示为：其中，R1为可选取的取代的5-成员杂环基；X、Y和V相同或不同，每个都是键，氧原子，硫原子等；Q为具有1到20个碳原子的二价碳氢基团；环A为芳香环，可选地进一步具有1到3个取代基；Z为—(CH2)n-Z1-或-Z1-( )n—（n为0到8的整数，Z1为键，氧原子，硫原子等）；环B为含氮杂环，可选地进一步具有1到3个取代基；W为键或具有1到20个碳原子的二价碳氢基团；R2为氢原子，氰基，—PO(OR9)(OR10)（R9和R10相同或不同，每个都是氢原子或可选取的取代的碳氢基团，R9和R10可选择性地结合形成可选取的取代环）等，或其盐，具有优异的减轻脂肪组织重量、降血糖和降血脂作用，可用作预防或治疗肥胖症、糖尿病、高脂血症、糖耐量受损、高血压等的药剂。
• HISTONE DEACETYLASE INHIBITORS AND COMPOSITIONS AND METHODS OF USE THEREOF
  申请人：CHDI FOUNDATION, INC.

  公开号：US20160031863A1

  公开（公告）日：2016-02-04

  Provided are certain histone deacetylase (HDAC) inhibitors of Formula I, compositions thereof, and methods of their use.

  提供了某些式I的组蛋白去乙酰化酶（HDAC）抑制剂，以及它们的组合物和使用方法。