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tert-butyl 3,4,5-trifluorobenzoate | 863562-09-8

中文名称
——
中文别名
——
英文名称
tert-butyl 3,4,5-trifluorobenzoate
英文别名
——
tert-butyl 3,4,5-trifluorobenzoate化学式
CAS
863562-09-8
化学式
C11H11F3O2
mdl
——
分子量
232.202
InChiKey
VULGYXGCRHVJAX-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    3.1
  • 重原子数:
    16
  • 可旋转键数:
    3
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.36
  • 拓扑面积:
    26.3
  • 氢给体数:
    0
  • 氢受体数:
    5

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    参考文献:
    名称:
    Novel Fluorinated Prodrugs for Activation by Carboxypeptidase G2 Showing Good in Vivo Antitumor Activity in Gene-Directed Enzyme Prodrug Therapy
    摘要:
    Sixteen novel polyfluorinated benzoic acid mustards have been synthesized for use in gene-directed enzyme prodrug therapy (GDEPT). Eight of these were benzoic acid L-glutamate mustards for evaluation as prodrugs and the other eight were the active drugs formed by the action of the bacterial enzyme carboxypeptidase G2 (CPG2). All of the di- and trifluorinated prodrugs were efficiently cleaved by the enzyme. In contrast, the tetrafluorinated prodrugs were found to be competitive inhibitors of CPG2, the first such inhibitors to have been described. The di- and trifluorinated prodrugs were differentially cytotoxic to human breast carcinoma cells (MDA MB 361) expressing CPG2, compared to control cells that did not express the enzyme. The difluorinated prodrug {4-[bis(2-bromoethyl)amino]-3,5-difluorobenzoyl}-L-glutamic acid and its iodoethylamino analogue were effective substrates for the enzyme and showed excellent therapeutic activity in CPG2-expressing MDA MB 361 xenografts, either curing or greatly inhibiting tumor growth and extending the life of the animals.
    DOI:
    10.1021/jm0502182
  • 作为产物:
    描述:
    二碳酸二叔丁酯3,4,5-三氟苯甲酸4-二甲氨基吡啶 作用下, 以 叔丁醇 为溶剂, 反应 18.0h, 以100%的产率得到tert-butyl 3,4,5-trifluorobenzoate
    参考文献:
    名称:
    Chemical Compounds
    摘要:
    这项发明涉及磺胺类衍生物,其在医学上的应用,包含它们的组合物,其制备过程以及在这些过程中使用的中间体。更具体地,该发明涉及一种新的磺胺类Nav1.7抑制剂,化学式为(I):或其药学上可接受的盐,其中Het1、X、R1、R2、R3、R4和R5如描述中所定义。Nav 1.7抑制剂在治疗各种疾病,特别是疼痛方面具有潜在的用途。
    公开号:
    US20120010183A1
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文献信息

  • DIACYLETHYLENEDIAMINE COMPOUND
    申请人:Kawano Tomoaki
    公开号:US20120046292A1
    公开(公告)日:2012-02-23
    [Problem] A compound which is useful as an anti-obesity agent is provided. [Means for Solution] The present inventors have investigated a compound having a DGAT1 inhibitory action, which is promising as an active ingredient of a pharmaceutical composition for treating obesity, type II diabetes mellitus, fatty liver, and diseases associated with these diseases, and as a result, they have found that the diacylethylenediamine compound of the present invention has an excellent DGAT1 inhibitory action, thereby completing the present invention. That is, the diacylethylenediamine compound of the present invention has a DGAT1 inhibitory action, and can be therefore used as an agent for preventing and/or treating obesity, type II diabetes mellitus, fatty liver, and diseases associated with these diseases.
    提供一种作为抗肥胖剂的化合物。现发明人调查了一种具有DGAT1抑制作用的化合物,该化合物有望成为治疗肥胖、2型糖尿病、脂肪肝以及与这些疾病相关的疾病的药物组合物的有效成分,并且他们发现了本发明的二酰乙二胺化合物具有出色的DGAT1抑制作用,从而完成了本发明。也就是说,本发明的二酰乙二胺化合物具有DGAT1抑制作用,因此可用作预防和/或治疗肥胖、2型糖尿病、脂肪肝以及与这些疾病相关的药物。
  • Sulfonamide derivatives as Nav 1.7 inhibitors
    申请人:Bell Andrew Simon
    公开号:US08592629B2
    公开(公告)日:2013-11-26
    This invention relates to sulfonamide derivative of formula (I), to their use in medicine, to compositions containing them, to processes for their preparation, and to intermediates used in such processes. These compounds are inhibitors of Nav1.7.
    本发明涉及公式(I)的磺酰胺衍生物,其在医学上的应用,包含它们的组合物,制备它们的过程以及用于这种过程的中间体。这些化合物是Nav1.7的抑制剂。
  • NOVEL AMIDE DERIVATIVE USEFUL AS DIACYLGLYCEROL ACYLTRANSFERASE 2 INHIBITOR, AND USE THEREOF
    申请人:Lg Chem, Ltd.
    公开号:EP4074701A1
    公开(公告)日:2022-10-19
    The present invention relates to an amide derivative compound, which exhibits the activity of a diacylglycerol acyltransferase (DGAT) 2 inhibitor and is represented by chemical formula (1), a pharmaceutical composition comprising same as an active ingredient, and a use thereof.
    本发明涉及一种酰胺衍生物化合物,其表现出二酰基甘油酰基转移酶(DGAT)2抑制剂的活性,其化学式表示为(1),一种包含其作为活性成分的药物组合物以及其用途。
  • N-SULFONYLBENZAMIDE DERIVATIVES USEFUL AS VOLTAGE GATED SODIUM CHANNEL INHIBITORS
    申请人:Pfizer Limited
    公开号:EP2593432B1
    公开(公告)日:2014-10-22
  • US8592629B2
    申请人:——
    公开号:US8592629B2
    公开(公告)日:2013-11-26
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