4-[5-(4-butylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide | 618068-97-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[5-(4-butylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
• 英文别名: 4-[5-(4-butylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzenesulfonamide
• CAS: 618068-97-6
• 化学式: C₂₀H₂₀F₃N₃O₂S
• 分子量: 423.459
• InChiKey: HZXCJPDBOLVSEU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.9
• 重原子数：
  29
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  86.4
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  4,4,4-trifluoro-1-(4-butylphenyl)butane-1,3-dione 、 4-磺酰胺基苯肼盐酸盐 以 乙酸乙酯 为溶剂， 反应 24.0h， 以65%的产率得到4-[5-(4-butylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl]benzenesulfonamide
  参考文献：
  名称：

  Compounds and methods for inducing apoptosis in proliferating cells

  摘要：

  用于诱导增殖细胞凋亡的化合物，特别是癌细胞，包括但不限于前列腺癌、白血病、非小细胞肺癌、结肠癌、中枢神经系统癌、黑色素瘤、卵巢癌、肾癌、膀胱癌、淋巴瘤和乳腺癌。这些化合物在治疗雄激素非依赖性癌症特别有效，包括激素难治性前列腺癌。还提供了使用本发明化合物治疗患有癌症的受试者的方法。此外，还提供了使用本发明化合物治疗、抑制或延迟受试者癌症发生的方法。此外，还提供了使用本发明化合物诱导快速增殖细胞凋亡的方法，特别是虽然不一定是癌细胞。

  公开号：

  US20030236294A1

文献信息

• ANTI-INFECTIVE AGENTS AGAINST INTRACELLULAR PATHOGENS
  申请人：Chen Ching-Shih

  公开号：US20090111799A1

  公开（公告）日：2009-04-30

  A new class of phosphoinositide-dependent kinase-1 (PDK-1) inhibitors of Formula I: wherein X wherein X is —CF 3 , Ar is selected from and R is selected from where R′ is L-Lys, D-Lys, β-Ala, L-Lue, L-Ile, Phe, SO 2 CH 2 CH 2 NH 2 , SO 2 NH 2 , Asn, Glu or Gyl, and R″ is methyl, ethyl, allyl, CH 2 CH 2 OH, CH 2 CN, CH 2 CH 2 CN, CH 2 CONH 2 ,

  一种新的磷脂酰肌醇依赖激酶-1（PDK-1）抑制剂的化学式I：其中X为—CF3，Ar从中选择，R从中选择，其中R′为L-赖氨酸，D-赖氨酸，β-丙氨酸，L-亮氨酸，L-异亮氨酸，苯丙氨酸，SO2CH2CH2NH2，SO2NH2，天冬氨酸，谷氨酸或甘氨酸，R″为甲基，乙基，烯丙基，CH2CH2OH，CH2CN，CH2CH2CN，CH2CONH2。
• PDK-1/Akt signaling inhibitors
  申请人：Chen Ching-Shih

  公开号：US20060079566A1

  公开（公告）日：2006-04-13

  A new class of phosphoinositide-dependent kinase-1 (PDK-1) inhibitors of formula I: wherein X is selected from the group consisting of alkyl and haloalkyl; Ar is an aryl radical selected from the group consisting of phenyl, biphenyl, naphthyl, anthryl, phenanthryl, and fluorenyl; and wherein Ar is optionally substituted with one or more radicals selected from the group consisting of halo, C 1 -C 4 alkyl, C 1 -C 4 haloalkyl, azido, C 1 -C 4 azidoalkyl, aryl, akylaryl, haloaryl, haloalkylaryl, and combinations thereof; and R is selected from the group consisting of nitrile, acetonitrile, ethylnitrile, propylnitrile, carboxamide, amidine, tetrazole, oxime, hydrazone, acetamidine, aminoacetamide, guanidine, and urea. Also provided are methods of using the compounds for the treatment and prevention of cancer in humans.

  一种新的磷脂酰肌醇依赖性激酶-1（PDK-1）抑制剂，化学式为I：其中X选自烷基和卤代烷基；Ar是选自苯基，联苯基，萘基，蒽基，菲基和芴基的芳基基团；其中Ar可选地被一个或多个选自卤素，C1-C4烷基，C1-C4卤代烷基，叠氮基，C1-C4叠氮烷基，芳基，烷基芳基，卤代芳基，卤代烷基芳基和其组合的基团取代；而R选自腈，乙腈，丙腈，羧酰胺，胍，四唑，肟，腙，乙酰胍，氨基乙酰胺，胍，尿素等基团。还提供了使用该化合物治疗和预防人类癌症的方法。
• PDK-1/AKT SIGNALING INHIBITORS
  申请人：Chen Ching-Shih

  公开号：US20080269309A1

  公开（公告）日：2008-10-30

  Use of a new class of phosphoinositide-dependent kinase-1 (PDK-1) inhibitors of formula I for inducing apoptosis in unwanted rapidly proliferating cells, for treating, inhibiting, or delaying the onset of cancer, and for preventing restenosis in a subject that has undergone an angioplasty or stent: wherein X is selected from the group consisting of alkyl and haloalkyl; Ar is an aryl radical selected from the group consisting of phenyl, biphenyl, naphthyl, anthryl, phenanthryl, and fluorenyl; and wherein Ar is optionally substituted with one or more radicals selected from the group consisting of halo, C 1 -C 4 alkyl, C 1 -C 4 haloalkyl, azido, C 1 -C 4 azidoalkyl, aryl, akylaryl, haloaryl, haloalkylaryl, and combinations thereof; and R is selected from the group consisting of nitrile, acetonitrile, ethylnitrile, propylnitrile, carboxamide, amidine, tetrazole, oxime, hydrazone, acetamidine, aminoacetamide, guanidine, and urea.

  使用一种新的磷脂酰肌醇依赖性激酶-1（PDK-1）抑制剂（I式）用于诱导不需要的快速增殖细胞凋亡，用于治疗、抑制或延迟癌症发生，并用于预防经过血管成形术或支架的患者再狭窄：其中X选自烷基和卤代烷基的群体；Ar是选自苯基、联苯基、萘基、蒽基、菲基和芴基的芳基基团；其中Ar可选地被一个或多个选自卤素、C1-C4烷基、C1-C4卤代烷基、叠氮基、C1-C4叠氮基烷基、芳基、烷基芳基、卤代芳基、卤代烷基芳基和其组合的基团取代；R选自腈、乙腈、乙腈、丙腈、羧酰胺、胍、四唑、肟、酰肟、氨基乙酰胺、胍、尿素的群体。
• HETEROCYCLES USEFUL AS INHIBITORS OF CARBONIC ANHYDRASE
  申请人：Chong Wesley Kwan Mung

  公开号：US20100256357A1

  公开（公告）日：2010-10-07

  Sulfonamides and pharmaceutical compositions containing the compounds useful in controlling intraocular pressure are disclosed. Methods for controlling intraocular pressure through administration of the compositions are also disclosed.

  本文披露了磺胺类化合物及其药物组合物的制备方法，这些化合物对于控制眼压具有有用的作用。本文还披露了通过给予这些药物组合物来控制眼压的方法。
• WO2008/17932
  申请人：——

  公开号：——

  公开（公告）日：——