1,1,1-Trifluoro-N-(3-aminophenyl)methansulfonamid | 53718-46-0

• 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: 1,1,1-Trifluoro-N-(3-aminophenyl)methansulfonamid
• 英文别名: N-(3-amino-phenyl)-C,C,C-trifluoro-methanesulfonamide；N-(3-Aminophenyl)-1,1,1-trifluoromethanesulphonamide；N-(3-aminophenyl)-1,1,1-trifluoromethanesulfonamide
• CAS: 53718-46-0
• 化学式: C₇H₇F₃N₂O₂S
• 分子量: 240.206
• InChiKey: PYNNMSCBHZJTIX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  15
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  80.6
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-(2-chloro-oxazol-5-yl)-benzonitrile 、 1,1,1-Trifluoro-N-(3-aminophenyl)methansulfonamid 在 silica 、 acetone hexane 作用下， 以 异丙醇 为溶剂， 反应 14.0h， 以to provide N-(3-((5-(4-cyanophenyl)oxazol-2-yl)amino)phenyl)-1,1,1-trifluoromethane sulfonamide 44 (0.45 g, 75% yield) as a solid的产率得到N-(3-((5-(4-cyanophenyl)oxazol-2-yl)amino)phenyl)-1,1,1-trifluoromethanesulfonamide
  参考文献：
  名称：

  Aminooxazole inhibitors of cyclin dependent kinases

  摘要：

  本文描述了噁唑衍生物。这些创新化合物可用作激酶抑制剂，并可用于治疗癌症，如前列腺癌、肺癌、乳腺癌、结肠癌、白血病、中枢神经系统癌症、黑色素瘤、卵巢癌和肾癌。

  公开号：

  US08865709B2
• 作为产物：
  描述：

  1,1,1-trifluoro-N-(3-nitrophenyl)methanesulfonamide 在 钯 氢气 、 钯 作用下， 以 乙醇 为溶剂， 反应 2.0h， 以obtained 0.44 g of N-(3-aminophenyl)-1,1,1-trifluoromethanesulfonamide 43 (100% yield)的产率得到1,1,1-Trifluoro-N-(3-aminophenyl)methansulfonamid
  参考文献：
  名称：

  Aminooxazole Inhibitors of Cyclin Dependent Kinases

  摘要：

  本文描述了噁唑衍生物。这些创新的化合物可用作激酶抑制剂，并可用于治疗癌症，如前列腺癌，肺癌，乳腺癌，结肠癌，白血病，中枢神经系统癌症，黑色素瘤，卵巢癌和肾癌。

  公开号：

  US20130184288A1

文献信息

• Sulphonamidoaniline Derivatives Being Janus Kinase Inhibitors
  申请人：Capraro Hans-Georg

  公开号：US20080261973A1

  公开（公告）日：2008-10-23

  The invention relates to sulphonamidoanilines of formula I, wherein A is N or CH, W, X, Y and Z are N or CH under the proviso that at least one of the three symbols W, X and Y represent CH, R 1 represents NR 4 R 5 or OR 4 , wherein R 4 represents optionally substituted alkyl, optionally substituted cycloalkyl optionally comprising one or two nitrogen or oxygen atoms, or substituted aryl, and R 5 represents hydrogen or unsubstituted or substituted alky, or R 4 and R 5 together with the nitrogen to which they are attached represent an optionally substituted five- or six-membered nitrogen containing monocyclic ring, an optionally substituted nitrogen containing fully saturated bicyclic ring, or an spirocyclic fully saturated ring system containing one or two nitrogen atoms, R 2 is hydrogen, lower alkenyl or alkyl, R 3 is alkyl which is unsubstituted or mono-, di- or trisubstituted by halogen; alkenyl or aryl, and their salts; processes for their preparation, their application in the treatment of the human or animal body, the use thereof—alone or in combination with one or more other pharmaceutically active compounds—for the treatment of diseases, a method for the treatment of such a disease and the use of such a compound—alone or in combination with one or more other pharmaceutically active compounds—for the manufacture of a pharmaceutical preparation for the treatment of a proliferative disease.

  本发明涉及式I的磺酰胺苯胺，其中A为N或CH，W、X、Y和Z为N或CH，但至少三个符号W、X和Y中的一个代表CH，R1代表NR4R5或OR4，其中R4代表可选取代的烷基，可选取代的环烷基，可包含一个或两个氮或氧原子的取代芳基；R5代表氢或未取代或取代的烷基，或R4和R5连同它们所连接的氮表示一个可选取代的五元或六元含氮单环环，一个可选取代的含氮完全饱和的双环环，或一个含有一或两个氮原子的螺环完全饱和环系统，R2为氢、低碳烯基或烷基，R3为未取代或单、二、三取代的卤素的烷基、烯基或芳基，以及它们的盐；它们的制备方法，它们在治疗人体或动物体中的应用，使用它们-独自或与一个或多个其他药理活性化合物结合-治疗疾病的方法，以及使用这种化合物-独自或与一个或多个其他药理活性化合物结合-制造治疗增殖性疾病的药物制剂。
• Aminooxazole inhibitors of cyclin dependent kinases
  申请人：Neosome Life Sciences, LLC

  公开号：US08865709B2

  公开（公告）日：2014-10-21

  Oxazole derivatives are described. The inventive compounds are useful as kinase inhibitors, and may be used in the treatment of cancer, such as prostate cancer, lung cancer, breast cancer, colon cancer, leukemia, CNS cancer, melanoma, ovarian cancer, and renal cancer.

  本文描述了噁唑衍生物。这些创新化合物可用作激酶抑制剂，并可用于治疗癌症，如前列腺癌、肺癌、乳腺癌、结肠癌、白血病、中枢神经系统癌症、黑色素瘤、卵巢癌和肾癌。
• Chemical Compounds
  申请人：Chai Deping

  公开号：US20130225524A1

  公开（公告）日：2013-08-29

  The invention is directed to substituted quinoline derivatives. Specifically, the invention is directed to compounds according to Formula I: wherein R 1 , R 2 , R 3 , R 4 , and R 5 are defined herein. The compounds of the invention are inhibitors of lactate dehydrogenase A and can be useful in the treatment of cancer and diseases associated with tumor cell metabolism, such as cancer, and more specifically cancers of the breast, colon, prostate and lung. Accordingly, the invention is further directed to pharmaceutical compositions comprising a compound of the invention. The invention is still further directed to methods of inhibiting lactate dehydrogenase A activity and treatment of disorders associated therewith using a compound of the invention or a pharmaceutical composition comprising a compound of the invention.

  本发明涉及取代喹啉衍生物。具体而言，本发明涉及公式I的化合物：其中R1，R2，R3，R4和R5在此定义。本发明的化合物是乳酸脱氢酶A的抑制剂，可用于治疗癌症和与肿瘤细胞代谢相关的疾病，例如乳腺癌、结肠癌、前列腺癌和肺癌。因此，本发明进一步涉及包含本发明化合物的制药组合物。本发明还涉及使用本发明化合物或包含本发明化合物的制药组合物来抑制乳酸脱氢酶A活性和治疗与之相关的疾病的方法。
• 1,3-Oxazole-4-carboxamides, 1,3-Thiazole-4-carboxamides, and 1,3-Imidazole-d-carboxamides as Inhibitors of cyclin Dependent kinases
  申请人：Neosome Life Sciences, LLC

  公开号：US08546400B2

  公开（公告）日：2013-10-01

  Oxazole derivatives are described. The inventive compounds are useful as kinase inhibitors, and may be used in the treatment of cancer, such as prostate cancer, lung cancer, breast cancer, colon cancer, leukemia, CNS cancer, melanoma, ovarian cancer, and renal cancer.

  本文描述了噁唑衍生物。这些创新化合物可用作激酶抑制剂，可用于治疗癌症，如前列腺癌，肺癌，乳腺癌，结肠癌，白血病，中枢神经系统癌症，黑色素瘤，卵巢癌和肾癌。
• Benzodiazepine derivatives, and their use as antagonists of gastrin and/or cholecystokinin
  申请人：GLAXO GROUP LIMITED

  公开号：EP0538945A1

  公开（公告）日：1993-04-28

  (I) Compounds ofgeneral formula (I) wherein; R¹ represents a group selected from CH₂CONR⁴R⁵, XYR⁶, phenyl, C₃₋₇-cycloalkyl or C₁₋₆alkyl, optionally substituted by a hydroxy, phenyl, C₁₋₆alkoxycarbonyl, C₃₋₇cycloalkyl or adamantyl group; R² represents a group selected from NR⁷SO₂CF₃, SO₂NR⁷COR⁸, CONR⁷SO₂R⁸, or a tetrazole, carboxamidotetrazole, or 3-trifluoromethyl-1,2,4-triazole group in which the tetrazole or triazole moiety may be substituted on one of the nitrogen atoms by a C₁₋₄alkyl group; R³ is phenyl optionally substituted by one or two halogen atoms; R⁴ and R⁵ which may be the same or different each independently represent a hydrogen atom, or a phenyl or C₁₋₄alkyl group or NR⁴R⁵ represents a saturated 5- to 7- membered nitrogen containing heterocyclic ring, optionally substituted by 1 or 2 methyl groups; R⁶ represents a group selected from C₁₋₆alkyl, optionally substituted phenyl, C₃₋₇cycloalkyl or adamantyl; R⁷ represents hydrogen or a C₁₋₄alkyl group; R⁸ represents a C₁₋₄alkyl group, X is a C₁₋₃ straight or branched alkylene chain; Y represents a group selected from -C=O, C(OR⁹)₂ or C(SR⁹)₂ wherein R⁹ is C₁₋₃alkyl or the two R⁹ groups together form a C₂₋₄alkylene chain; n is zero or 1; are modulators of gastrin and or CCK.

  (I) 通式化合物中，其中; R¹代表从CH₂CONR⁴R⁵，XYR⁶，苯基，C₃₋₇环烷基或C₁₋₆烷基中选择的一种基团，可以选择性地被一个羟基，苯基，C₁₋₆烷氧羰基，C₃₋₇环烷基或金刚烷基取代; R²代表从NR⁷SO₂CF₃，SO₂NR⁷COR⁸，CONR⁷SO₂R⁸或四唑，羧酰氨基四唑或3-三氟甲基-1,2,4-三唑基团中选择的一种基团，在其中四唑或三唑基团可以在其中一个氮原子上被一个C₁₋₄烷基取代; R³是苯基，可以选择性地被一个或两个卤原子取代; R⁴和R⁵可以相同或不同，各自独立地代表氢原子，或苯基或C₁₋₄烷基或NR⁴R⁵代表一个饱和的5-至7-成员的含氮杂环环，可以选择性地被1或2个甲基基团取代; R⁶代表从C₁₋₆烷基，可以选择性地被取代的苯基，C₃₋₇环烷基或金刚烷基中选择的一种基团; R⁷代表氢或C₁₋₄烷基; R⁸代表C₁₋₄烷基; X是C₁₋₃直链或支链烷基链; Y代表从-C=O，C（OR⁹）₂或C（SR⁹）₂中选择的一种基团，其中R⁹是C₁₋₃烷基或两个R⁹基团共同形成一个C₂₋₄烷基链; n为零或1; 是胃泌素和/或CCK的调节剂。