3-(2,2-dichloro-1-methylcyclopropyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-nitro-1H-pyrazole-4-carbonitrile | 708213-22-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(2,2-dichloro-1-methylcyclopropyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-nitro-1H-pyrazole-4-carbonitrile
• 英文别名: 3-(2,2-Dichloro-1-methylcyclopropyl)-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-5-nitropyrazole-4-carbonitrile
• CAS: 708213-22-3
• 化学式: C₁₅H₇Cl₄F₃N₄O₂
• 分子量: 474.053
• InChiKey: IJQRRZFKNQLMRY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  28
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  87.4
• 氢给体数：
  0
• 氢受体数：
  7

文献信息

• Bicyclic [3.1.0.] heteroaryl amides as type 1 glycine transport inhibitors
  申请人：McHardy F. Stanton

  公开号：US20060229455A1

  公开（公告）日：2006-10-12

  The present invention relates to a series of substituted bicyclic[3.1.0]heteroaryl amides of the Formula I, wherein A, Q, X, Y, Z and R 1 -R 5 groups are defined as in the specification, that exhibit activity as glycine transport inhibitors, their pharmaceutically acceptable salts, pharmaceutical compositions containing them, and their use for the enhancement of cognition and the treatment of the positive and negative symptoms of schizophrenia and other psychoses in mammals, including humans.

  本发明涉及一系列Formula I中的取代双环[3.1.0]杂环烯基酰胺，其中A、Q、X、Y、Z和R1-R5基如规范中定义，表现为甘氨酸转运抑制剂的活性，其药学上可接受的盐、含有它们的药物组合物，以及它们用于增强认知和治疗哺乳动物，包括人类的精神分裂症和其他精神病阳性和阴性症状的用途。
• 1-Aryl-4-cyano-3-cyclopropylpyrazole derivatives as ectoparasiticidal agents
  申请人：Wyeth

  公开号：EP1431291A1

  公开（公告）日：2004-06-23

  A method and composition for the prevention, amelioration or control of external parasites on animals and humans utilizing a compound of formula I. wherein Ris halogen, OR7, SOmR8, NO2, CN, C1-C6haloalkyl or an optionally substituted C1-C6alkyl group; nis 0 or an integer of 1, 2 or 3; mis 0 or an integer of 1 or 2; R1is H, halogen, NO2, NR9R10, NR11COR12, NCHNR9R10 or NCHOR13; R2, R3, R4, R5 and R6are each independently H, halogen or a C1-C4alkyl, aryl or heteroaryl group each optionally substituted; R7is H or a C1-C6alkyl, C2-C6alkenyl, C2-C6alkynyl, aryl or heteroaryl group each optionally substituted; R8is a C1-C6alkyl, C2-C6alkenyl, C2-C6alkynyl, aryl or heteroaryl group, each optionally substituted; R9 and R10are each independently H, C1-C4haloalkyl or a C1-C6alkyl, C2-C6alkenyl, C2-C6alkynyl, aryl or heteroaryl group each optionally substituted or R9 and R10 may be taken together with the atom to which they are attached to form a 5- to 7-membered ring optionally containing 1 or 2 additional heteroatoms selected from O, N or S; R11is H, COR12 or an optionally substituted C1-C4alkyl group; R12is a C1-C6alkyl, C2-C6alkenyl, C2-C6alkynyl, aryl or heteroaryl group each optionally substituted; and R13is H or a C1-C6alkyl, aryl or heteroaryl group each optionally substituted; or a stereoisomer or tautomer thereof.

  一种利用化合物I的方法和组合物，用于预防、改善或控制动物和人体表面寄生虫，其中化合物I的结构式如下：其中R是卤素、OR7、SOmR8、NO2、CN、C1-C6卤代烷基或可选择性取代的C1-C6烷基；n为0或1、2或3的整数；m为0或1或2的整数；R1为H、卤素、 、NR9R10、NR11COR12、NCHNR9R10或NCHOR13；R2、R3、R4、R5和R6分别独立地为H、卤素或可选择性取代的C1-C4烷基、芳基或杂环芳基基团；R7为H或可选择性取代的C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基或杂环芳基基团；R8为C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基或杂环芳基基团，每个基团可选择性取代；R9和R10分别独立地为H、C1-C4卤代烷基或可选择性取代的C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基或杂环芳基基团，或R9和R10可与它们所附着的原子一起形成一个5-至7-成员环，其中可选择性包含1或2个额外的杂原子，所述杂原子选自O、N或S；R11为H、COR12或可选择性取代的C1-C4烷基基团；R12为C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基或杂环芳基基团，每个基团可选择性取代；以及R13为H或可选择性取代的C1-C6烷基、芳基或杂环芳基基团；或其立体异构体或互变异构体。
• N-phenyl-3-cyclopropylpyrazole-4-carbonitriles as ectoparasiticidal agents
  申请人：Wyeth

  公开号：US20040122075A1

  公开（公告）日：2004-06-24

  A method and composition for the prevention, amelioration or control of external parasites on animals and humans utilizing a compound of formula I. 1 or a pharmaceutically acceptable salt thereof, wherein R is halogen, OR 7 , SO m R 8 , NO 2 , CN, C 1 -C 6 haloalkyl or an optionally substituted C 1 -C 6 alkyl group; n is 0 or an integer of 1, 2 or 3; m is 0 or an integer of 1 or 2; R 1 is H, halogen, NO 2 , NR 9 R 10 , NR 11 COR 12 , NCHNR 9 R 10 or NCHOR 13 ; R 2 , R 3 , R 4 , R 5 and R 6 are each independently H, halogen or a C 1 -C 4 alkyl, aryl or heteroaryl group each optionally substituted; R 7 is H or a C 1 -C 6 alkyl, C 2 -C 6 alkenyl, C 2 -C 6 alkynyl, aryl or heteroaryl group each optionally substituted; R 8 is a C 1 -C 6 alkyl, C 2 -C 6 alkenyl, C 2 -C 6 alkynyl, aryl or heteroaryl group, each optionally substituted; R 9 and R 10 are each independently H, C 1 -C 4 haloalkyl or a C 1 -C 6 alkyl, C 2 -C 6 alkenyl, C 2 -C 6 alkynyl, aryl or heteroaryl group each optionally substituted or R 9 and R 10 may be taken together with the atom to which they are attached to form a 5- to 7-membered ring optionally containing 1 or 2 additional heteroatoms selected from O, N or S; R 11 is H, COR 12 or an optionally substituted C 1 -C 4 alkyl group; R 12 is a C 1 -C 6 alkyl, C 2 -C 6 alkenyl, C 2 -C 6 alkynyl, aryl or heteroaryl group each optionally substituted; and R 13 is H or a C 1 -C 6 alkyl, aryl or heteroaryl group each optionally substituted; or a stereoisomer or tautomer thereof.

  一种用于预防、改善或控制动物和人类身上的外部寄生虫的方法和组合物，利用公式I.1的化合物或其药学上可接受的盐，其中： R是卤素、OR7、SOmR8、NO2、CN、C1-C6卤代烷基或可选择取代的C1-C6烷基； n为0或1、2或3的整数； m为0或1或2的整数； R1为H、卤素、 、NR9R10、NR11COR12、NCHNR9R10或NCHOR13； R2、R3、R4、R5和R6分别独立地为H、卤素或可选择取代的C1-C4烷基、芳基或杂环芳基； R7为H或可选择取代的C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基或杂环芳基； R8为可选择取代的C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基或杂环芳基； R9和R10各自独立地为H、C1-C4卤代烷基或可选择取代的C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基或杂环芳基，或R9和R10可一起取代它们附着的原子形成一个5-至7环，可选择包含1或2个额外的杂原子，选自O、N或S； R11为H、COR12或可选择取代的C1-C4烷基； R12为可选择取代的C1-C6烷基、C2-C6烯基、C2-C6炔基、芳基或杂环芳基； R13为H或可选择取代的C1-C6烷基、芳基或杂环芳基； 或其立体异构体或互变异构体。