4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde

• 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: 4-[4-(Trifluoromethyl)benzyl]-1-piperazinecarbaldehyde
• 英文别名: 4-[[4-(trifluoromethyl)phenyl]methyl]piperazine-1-carbaldehyde
• 化学式: C₁₃H₁₅F₃N₂O
• 分子量: 272.27
• InChiKey: MZBCQDVFPZTSRM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  23.6
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND
  申请人：ASTELLAS PHARMA INC.

  公开号：US20150266869A1

  公开（公告）日：2015-09-24

  [Problem] A compound which is useful as an agent for treating breast cancer is provided. [Means for Solution] As a result of intensive studies on a compound having a Complex I inhibitory effect and an AMPK activation effect, the present inventors found that a bicyclic nitrogen-containing aromatic heterocyclic amide compounds of the present invention has an excellent Complex I inhibitory effect and the AMPK activation effect, furthermore, has a cell proliferation inhibitory effect with respect to not only human PIK3CA mutation-positive breast cancer cell lines in which MCT4 is not expressed but also human breast cancer cell lines which do not have mutation of PIK3CA in which MCT4 is not expressed, and exhibits an anti-tumor effect in a human PIK3CA mutation-positive breast cancer cell line MDA-MB-453 cell in a cancer-bearing mouse in which the MCT4 is not expressed, thereby completing the present invention. A bicyclic nitrogen-containing aromatic heterocyclic amide compound of the present invention can be used as an agent for treating breast cancer, in particular, breast cancer in which the MCT4 is not expressed, and among others, PIK3CA mutation-positive breast cancer in which the MCT4 is not expressed.

  提供一种作为治疗乳腺癌药物的化合物。通过对具有复合I抑制作用和AMPK激活作用的化合物进行深入研究，本发明人发现，本发明的含有双环氮杂芳香族酰胺化合物具有优异的复合I抑制作用和AMPK激活作用，此外，对于不仅在其中MCT4不表达的人类PIK3CA突变阳性乳腺癌细胞系，还对于其中MCT4不表达的不具有PIK3CA突变的人类乳腺癌细胞系，具有细胞增殖抑制作用，并在MCT4不表达的癌症携带小鼠的人类PIK3CA突变阳性乳腺癌细胞系MDA-MB-453细胞中表现出抗肿瘤作用，从而完成了本发明。本发明的含有双环氮杂芳香族酰胺化合物可用作治疗乳腺癌的药物，尤其是MCT4不表达的乳腺癌，以及其他MCT4不表达的PIK3CA突变阳性乳腺癌。
• PHARMACEUTICAL COMPOSITION HAVING BICYCLIC NITROGEN-CONTAINING AROMATIC HETEROCYCLIC AMIDE COMPOUND AS ACTIVE COMPONENT
  申请人：Astellas Pharma Inc.

  公开号：EP3231425A1

  公开（公告）日：2017-10-18

  To provide a pharmaceutical composition for treating multiple myeloma. [Solution] After investigating compounds having a mitochondrial Complex I inhibitory effect, the present inventor completed the present invention by confirming that the bicyclic nitrogen-containing aromatic heterocyclic amide compounds of the present invention have a mitochondrial Complex I inhibitory effect, and that these compounds have a growth inhibition effect on multiple myeloma.

  提供一种用于治疗多发性骨髓瘤的药物组合物。【解决方案】在调查具有线粒体复合物I抑制作用的化合物后，本发明人通过确认本发明的双环氮杂芳香杂环酰胺化合物具有线粒体复合物I抑制作用，并且这些化合物对多发性骨髓瘤具有生长抑制作用，完成了本发明。
• PHARMACEUTICAL COMPOSITION HAVING BICYCLIC NITROGEN-CONTAINING AROMATIC HETROCYCLIC AMIDE COMPOUNDS AS ACTIVE INGREDIENT
  申请人：Astellas Pharma Inc.

  公开号：EP3231426A1

  公开（公告）日：2017-10-18

  [Problem] To provide a pharmaceutical composition for treating various cancers in which mitochondrial complex I is involved, in particular, colon cancer, leukemia and/or malignant lymphoma. [Solution] With the invention of creating pharmaceutical compositions for treating various cancers, the inventors confirmed, on the basis of the result of intensive investigation, that pharmaceutical compositions, which contain specific bicyclic nitrogen-containing aromatic heterocyclic amide compounds having an AMPK activation effect and mitochondrial complex I is involved, in particular, colon cancer, leukemia and/or malignant lymphoma; thereby completing the present invention.

  【问题】提供一种用于治疗涉及线粒体复合物I的各种癌症，特别是结肠癌、白血病和/或恶性淋巴瘤的药物组合物。【解决方案】通过创造用于治疗各种癌症的药物组合物的发明，发明人根据深入调查的结果确认，包含具有AMPK激活作用和涉及线粒体复合物I的特定双环氮杂芳香杂环酰胺化合物的药物组合物，特别是用于治疗结肠癌、白血病和/或恶性淋巴瘤；从而完成了本发明。
• 2,3-Dihydro-6-nitroimidazo[2,1-b]oxazoles
  申请人：Tsubouchi Hidetsugu

  公开号：US20060094767A1

  公开（公告）日：2006-05-04

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R 1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R 2 represents a group —OR 3 or the like, and R 3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R 1 and —(CH 2 ) n R 2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R 41 is hydrogen, C1-C6 alkyl group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis , multi-drug-resistant Mycobacterium tuberculosis , and atypical acid-fast bacteria.

  本发明提供了一种2,3-二氢-6-硝基咪唑并[2,1-b]噁唑化合物，其通式如下：其中，R1代表氢原子或C1-C6烷基，n代表0到6的整数，R2代表—OR3或类似的基团，R3代表氢原子、C1-C6烷基或类似的基团，或者R1和—(CH2)nR2可以通过相邻的碳原子通过氮原子结合在一起形成一个螺环，其通式为（H）：其中，R41为氢、C1-C6烷基或类似的基团。该化合物对结核分枝杆菌、多药耐药结核分枝杆菌和非典型酸性快速细菌具有优异的杀菌作用。
• 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES
  申请人：OTSUKA PHARMACEUTICAL CO., LTD.

  公开号：EP1555267A1

  公开（公告）日：2005-07-20

  The present invention provides a 2,3-dihydro-6-nitroimidazo[2,1-b]oxazole compound represented by the following general formula: wherein R1 represents a hydrogen atom or C1-C6 alkyl group, n represents an integer of 0 to 6, R2 represents a group -OR3 or the like, and R3 represents a hydrogen atom, C1-C6 alkyl group or the like, or R1 and -(CH2)nR2 may bind to each other together with carbon atoms adjacent thereto through nitrogen atoms so as to form a spiro ring represented by the general formula (H): wherein R41 is hydrogen, C1-C6 alkyl group or the like. The present compound has an excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and a typical acid-fast bacteria.

  本发明提供了由以下通式代表的 2，3-二氢-6-硝基咪唑并[2，1-b]恶唑化合物： 其中R1代表氢原子或C1-C6烷基，n代表0至6的整数，R2代表基团-OR3或类似基团，R3代表氢原子、C1-C6烷基或类似基团，或者R1和-(CH2)nR2可以通过氮原子与相邻的碳原子相互结合，从而形成通式(H)代表的螺环： 其中 R41 为氢、C1-C6 烷基或类似基团。本化合物对结核分枝杆菌、多重耐药结核分枝杆菌和典型的耐酸细菌有很好的杀菌作用。