{[4-(三氟甲基)苯基]磺酰基}乙酸 | 156497-87-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: {[4-(三氟甲基)苯基]磺酰基}乙酸
• 英文名称: [4-(Trifluoromethyl)benzene-1-sulfonyl]acetic acid
• 英文别名: 2-[4-(trifluoromethyl)phenyl]sulfonylacetic acid
• CAS: 156497-87-9
• 化学式: C₉H₇F₃O₄S
• 分子量: 268.21
• InChiKey: BKZTYDHPHFAKSZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  79.8
• 氢给体数：
  1
• 氢受体数：
  7

安全信息

• 海关编码：
  2916399090

文献信息

• Compounds Which Modulate The CB2 Receptor
  申请人：BERRY Angela

  公开号：US20080039464A1

  公开（公告）日：2008-02-14

  Compound of formula (I) are disclosed. Compounds according to the invention bind to and are agonists, antagonists or inverse agonists of the CB2 receptor, and are useful for treating inflammation. Those compounds which are agonists are additionally useful for treating pain.

  本发明揭示了化合物的公式（I）。根据本发明的化合物与CB2受体结合，并且是激动剂、拮抗剂或逆激动剂，适用于治疗炎症。那些是激动剂的化合物还可用于治疗疼痛。
• Compounds Which Modulate the CB2 Receptor
  申请人：BERRY Angela

  公开号：US20110071127A1

  公开（公告）日：2011-03-24

  Compounds of formula (I) are disclosed. Compounds according to the invention bind to and are agonists, antagonists or inverse agonists of the CB2 receptor, and are useful for treating inflammation. Those compounds which are agonists are additionally useful for treating pain.

  公式(I)的化合物被披露。本发明的化合物与CB2受体结合，并且是激动剂、拮抗剂或反向激动剂，可用于治疗炎症。那些是激动剂的化合物还可用于治疗疼痛。
• Thermal-dye-bleach construction
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0605286A1

  公开（公告）日：1994-07-06

  A thermal-dye-bleach construction comprising a polymethine dye having a nucleus of general formula I:    wherein:    n is 0, 1, 2 or 3;    W is selected from: hydrogen, alkyl groups of up to 10 carbon atoms, alkoxy and alkylthio groups of up to 10 carbon atoms, aryloxy and arylthio groups of up to 10 carbon atoms, NR¹R², and NR³R⁴;    R¹ to R⁴ are each independently selected from the group consisting of alkyl groups of up to 20 carbon atoms, alkenyl groups of up to 20 carbon atoms; and aryl groups of up to 14 carbon atoms; or    R¹ and R² together and/or R³ and R⁴ together may represent the atoms necessary to complete a 5- or 6-membered heterocyclic ring group; or one or more of R¹ to R⁴ may represent the atoms necessary to complete a 5- or 6-membered heterocyclic ring group fused to the phenyl ring on which the NR¹R² or NR³R⁴ group is attached;    R⁵ and R⁶ are each independently selected from the group consisting of hydrogen atoms, alkyl groups of up to 20 carbon atoms, aryl groups of up to 20 carbon atoms, heterocyclic ring groups comprising up to 6 ring atoms, carbocyclic ring groups comprising up to 6 carbon atoms; and fused ring and bridging groups comprising up to 14 ring atoms;    and, X⁻ is an anion;    in association with a thermal-carbanion-generating agent having the general formula:    in which each of R⁹ and R¹⁰ is a monovalent group such as hydrogen, an alkyl group, an alkenyl group, a cycloalkyl group, an aralkyl group, an aryl group, and a heterocyclic group,    M⁺ is a cation which will not react with the carbanion generated from said thermal carbanion generating agent in such manner as to render said carbanion ineffective as a bleaching agent for said polymethine dye.    p is one or two, and when p is one, Z is a monovalent group selected from: an alkyl group, a cycloalkyl group, an alkenyl group, an alkynyl group, an aralkyl group, an aryl group, and a heterocyclic group, and; when p is two, Z is a divalent group selected from: an alkylene group, an arylene group, a cycloalkylene group, an alkynylene group, an aralkylene group, an alkenylene group, and a heterocyclic group.

  一种热染色漂白结构，包含一种具有通式 I 原子核的聚甲基染料： 其中 n 是 0、1、2 或 3； W 选自：氢、最多 10 个碳原子的烷基、最多 10 个碳原子的烷氧基和烷硫基、最多 10 个碳原子的芳氧基和芳硫基、NR¹R² 和 NR³R⁴； R¹ 至 R⁴ 各自独立地选自由碳原子数不超过 20 个的烷基、碳原子数不超过 20 个的烯基和碳原子数不超过 14 个的芳基组成的组；或 R¹ 和 R² 合在一起和/或 R³ 和 R⁴ 合在一起可代表完成 5 或 6 元杂环基团所需的原子；或 R¹ 至 R⁴ 中的一个或多个可代表完成与 NR¹R² 或 NR³R⁴ 基团所连接的苯环融合的 5 或 6 元杂环基团所需的原子； R⁵ 和 R⁶ 各自独立地选自由氢原子、最多 20 个碳原子的烷基、最多 20 个碳原子的芳基、最多 6 个环原子的杂环基团、最多 6 个碳原子的碳环基团和最多 14 个环原子的融合环和桥基组成的组； X- 是阴离子； 与具有通式的热-碳离子生成剂结合： 其中 R⁹和 R¹⁰ 各为单价基团，如氢、烷基、烯基、环烷基、芳基、芳基和杂环基、 M⁺ 是阳离子，它不会与所述热碳酸根生成剂生成的碳酸根发生反应，从而使所述碳酸根不能作为所述聚甲醛染料的漂白剂。 p为1或2，当p为1时，Z为选自以下基团的一价基团：烷基、环烷基、烯基、炔基、芳基、芳基和杂环基；当p为2时，Z为选自以下基团的二价基团：烯基、芳基、环烷基、炔基、芳基、烯基和杂环基。
• Tetra-alkylammonium phenylsulfonylacetate thermal-dye-bleach agents
  申请人：MINNESOTA MINING AND MANUFACTURING COMPANY

  公开号：EP0605285B1

  公开（公告）日：1999-09-08
• SULFONYL COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR
  申请人：Boehringer Ingelheim International GmbH

  公开号：EP2081905B1

  公开（公告）日：2012-09-12