2-[1-[[4-[(3-Chloro-4-methylphenyl)sulfamoyl]phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid | 1322084-16-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 2-[1-[[4-[(3-Chloro-4-methylphenyl)sulfamoyl]phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
• 英文别名: 2-[1-[[4-[(3-chloro-4-methylphenyl)sulfamoyl]phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
• CAS: 1322084-16-1
• 化学式: C₂₃H₂₆ClN₃O₄S
• 分子量: 475.996
• InChiKey: XFWQEXFAYWGWSQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.5
• 重原子数：
  32
• 可旋转键数：
  9
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  [3,5-Diethyl-1-(4-methoxysulfinyl-benzyl)-1H-pyrazol-4-yl]-acetic acid ethyl ester 在 正丁基锂 、 水 、 间氯过氧苯甲酸 、 sodium hydroxide 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 正己烷 、 二氯甲烷 为溶剂， 反应 6.0h， 生成 2-[1-[[4-[(3-Chloro-4-methylphenyl)sulfamoyl]phenyl]methyl]-3,5-diethylpyrazol-4-yl]acetic acid
  参考文献：
  名称：

  PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS

  摘要：

  本发明涉及具有CRTH2活性的式(I)的吡唑化合物及其药学上可接受的盐，其中W、L1、L2、X、L3、Y、R1和R2如规范和索赔中所定义，以及它们作为药物的用途和包含该化合物或包含该化合物与一种或多种活性物质的组合物的制药配方。

  公开号：

  US20120028938A1

文献信息

• [EN] PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS<br/>[FR] COMPOSÉS PYRAZOLE COMME ANTAGONISTES DU CRTH2
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2011092140A1

  公开（公告）日：2011-08-04

  The present invention relates to pyrazole compounds of formula (I) and pharmaceutically acceptable salts thereof having CRTH2-activity, wherein W, L1, L2, X, L3, Y, R1 and R2 are as defined in the specification and claims, to their use as medicaments and to pharmaceutical formulations, containing said compounds or containing a combination of said compounds with one or more active substances.

  本发明涉及具有CRTH2活性的式（I）的吡唑化合物及其药学上可接受的盐，其中W、L1、L2、X、L3、Y、R1和R2如规范和索赔中定义，其用作药物和含有该化合物或与一个或多个活性物质的组合物的药物配方。
• PYRAZOLE COMPOUNDS FOR TREATING HAIRLOSS
  申请人：SCHNAPP Andreas

  公开号：US20140148484A1

  公开（公告）日：2014-05-29

  The present invention relates to compounds of formula (I) or pharmaceutically acceptable salts thereof for use in the treatment or prevention of hairloss, wherein W, L 1 , L 2 , X, L 3 , Y, R 1 and R 2 have one of the meanings as indicated in the specification and claims, to pharmaceutical compositions containing said compounds or pharmaceutically acceptable salts thereof, to the use of said compounds or pharmaceutically acceptable salts thereof for the manufacture of a medicament useful for the treatment or prevention of hairloss, to a method of treating or preventing hairloss as well as to a method of stimulating hair growth.
• US8791272B2
  申请人：——

  公开号：US8791272B2

  公开（公告）日：2014-07-29
• [EN] PYRAZOLE COMPOUNDS FOR TREATING HAIRLOSS<br/>[FR] COMPOSÉS DE PYRAZOLE POUR TRAITER L'ALOPÉCIE
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2014079805A1

  公开（公告）日：2014-05-30

  The present invention relates to compounds of formula (I) or pharmaceutically acceptable salts thereof for use in the treatment or prevention of hairloss, wherein W, L1, L2, X, L3, Y, R1 and R2 have one of the meanings as indicated in the specification and claims, to pharmaceutical compositions containing said compounds or pharmaceutically acceptable salts thereof, to the use of said compounds or pharmaceutically acceptable salts thereof for the manufacture of a medicament useful for the treatment or prevention of hairloss, to a method of treating or preventing hairloss as well as to a method of stimulating hair growth.