N-氟-2,Α-枯烯磺内酰胺 | 124170-23-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并噻唑类
• 中文名称: N-氟-2,Α-枯烯磺内酰胺
• 中文别名: 2-氟-3,3-二甲基-2,3-二氢-1,2-苯并异噻唑1,1-二氧化物；2,3-二氢-3,3-二甲基-2-氟-1,2-苯并异噻唑1,1-二氧化物
• 英文名称: N-fluorosultam
• 英文别名: 2-fluoro-3,3-dimethyl-2,3-dihydro-1,2-benzisothiazole-1,1-dioxide；2-Fluoro-3,3-dimethyl-2,3-dihydro-1,2-benzisothiazole 1,1-dioxide；2-fluoro-3,3-dimethyl-1,2-benzothiazole 1,1-dioxide
• CAS: 124170-23-6
• 化学式: C₉H₁₀FNO₂S
• mdl: MFCD00142913
• 分子量: 215.248
• InChiKey: VMDJWSACUFRJRE-UHFFFAOYSA-N

物化性质

• 熔点：
  115-117 °C
• 沸点：
  307.6±45.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)
• 溶解度：
  溶于THF（lit.）

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  45.8
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2934991000
• 安全说明：
  S26,S36
• WGK Germany：
  3

反应信息

• 作为反应物：
  描述：

  6-Cyano-1-(5-isothiazolyl)-1,2,3,4-tetrahydronaphthalene 、 、 lithium diisopropyl amide 、 N-氟-2,Α-枯烯磺内酰胺 以 四氢呋喃 为溶剂， 生成 6-Cyano-1-fluoro-1-(5-isothiazolyl)-1,2,3,4-tetrahydronaphthalene
  参考文献：
  名称：

  Heteroarylmethylbenzenes

  摘要：

  式子I的化合物 ##STR1## 其中Z是噻唑基或异噻唑基，X、R、R.sub.0、R.sub.1、R.sub.2和R.sub.3的定义如描述中所述，具有有价值的药物性质，特别对抗肿瘤有效。

  公开号：

  US05246952A1

文献信息

• N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists
  申请人：——

  公开号：US20040002504A1

  公开（公告）日：2004-01-01

  The present invention provides a method of treatment of a subject suffering from a disease, such as schizophrenia, for which the administration of an NK-3 antagonist is indicated which comprises administering to that subject a therapeutically effective amount of a compound of formula I: 1 wherein, generally, Q is 2 R 1 is benzyl, phenyl, thiophene or imidazolyl optionally substituted with C 1-4 alkyl or halogen, such as methyl, fluorine or bromine; R 2 is hydrogen or C 1-4 alkyl such as methyl; R 3 is phenyl; R 4 is hydrogen; R 5 is hydrogen or C 1-6 alkylcarbonyl such as methylcarbonyl; X is —SO 2 — or —C(O)N(R 2 )SO 2 — where R 2 is preferably hydrogen; Y is a bond, CH 2 or Z 1 where Z 1 is —N(R f )— in which R f is C 1-6 alkylcarbonyl such as ethylcarbonyl; and R 6 is phenyl, pyrazolyl, pyridyl, pyrimidinyl or benzimidazolonyl optionally substituted with one or two groups chosen from C 1-6 alkyl and benzyl, such as methyl, ethyl and benzyl; or a pharmaceutically acceptable salt thereof.

  本发明提供了一种治疗患有疾病（如精神分裂症）的受试者的方法，其中该疾病的治疗需要使用NK-3拮抗剂，包括向该受试者施用化合物I的治疗有效量： 1 其中，通常情况下， Q是 2 R 1 是苄基、苯基、噻吩或咪唑基，可选择地用C 1-4 烷基或卤素（如甲基、氟或溴）取代； R 2 是氢或C 1-4 烷基，如甲基； R 3 是苯基； R 4 是氢； R 5 是氢或C 1-6 烷基羰基，如甲基羰基； X是—SO 2 —或—C(O)N(R 2 )SO 2 —，其中R 2 最好是氢； Y是键、CH 2 或Z 1 ，其中Z 1 是—N(R f )—，其中R f 是C 1-6 烷基羰基，如乙基羰基；以及 R 6 是苯基、吡唑基、吡啶基、嘧啶基或苯并咪唑基，可选择地用来自C 1-6 烷基和苄基的一个或两个基团取代，如甲基、乙基和苄基； 或其药学上可接受的盐。
• 4-Substituted piperidine compound
  申请人：——

  公开号：US20030166925A1

  公开（公告）日：2003-09-04

  The present invention provides a novel compound having a superior acetylcholinesterase inhibitory action. It provides a compound represented by the formula: 1 (In the formula, R 1 represents a group represented by the formula: 2 (wherein, R 3 , R 4 , R 5 and R 6 are the same as or different from each other and each represents a hydrogen atom, an optionally substituted C 1-6 alkoxy group and the like; and m represents an integer from 0 to 6) and the like; and R 2 represents a hydrogen atom, an optionally substituted C 1-6 alkyl group, an optionally substituted C 2-6 alkenyl group or an optionally substituted C 2-6 alkynyl group), a salt thereof or a hydrate of them.

  本发明提供了一种具有优异的乙酰胆碱酯酶抑制作用的新化合物。它提供了一种由式1表示的化合物：（其中，R1表示由式2表示的基团：（其中，R3、R4、R5和R6相同或不同，分别表示氢原子、可选取代的C1-6烷氧基等；m为0至6的整数）等；R2表示氢原子、可选取代的C1-6烷基、可选取代的C2-6烯基或可选取代的C2-6炔基）及其盐或水合物。
• Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses
  申请人：Walter Harald

  公开号：US20050119130A1

  公开（公告）日：2005-06-02

  The invention relates to novel pesticidal pyrrolcarboxamide of the formula (I), wherein X is oxygen or sulfur; R 1 is CF 3 , CF 2 H or CFH 2 ; R 2 is C 1 -C 3 alkyl, C 1 -C 3 haloalkyl, C 1 -C 3 alkoxy-C 1 -C 3 alkyl or C 1 -C 3 haloalkoxy-C 1 -C 3 alkyl; R 3 is hydrogen methyl, CF 3 or fluoro; Q is (Q1), (Q2), (Q3), (Q4); R 4 is C 6 -C 14 bicycloalkyl unsubstituted or substituted by methyl, ethyl or CF 3 ; C 6 -C 14 bicycloalkenyl unsubstituted or substituted by methyl, ethyl or CF 3 ; C 6 -C 14 bicycloalkadienyl unsubstituted or substituted by methyl, ethyl or CF 3 ; a group of the form (a) wherein R 7 , R 8 , R 9 are independently of each other C 1 -C 3 alkyl or C 1 -C 3 haloalkyl; or a group (b) wherein R 10 and R 11 are independently of each other hydrogen or halogen and n=1 or 2; and R 5 and R 6 are independently of each other hydrogen or halogen. The novel compounds have plant-protecting properties and are suitable for protecting plants against infestation by phytopathogenic microorganisms.

  本发明涉及公式（I）的新型杀虫剂吡咯羧酰胺，其中X为氧或硫; R1为CF3，CF2H或CFH2; R2为C1-C3烷基，C1-C3卤代烷基，C1-C3烷氧基-C1-C3烷基或C1-C3卤代烷氧基-C1-C3烷基; R3为氢，甲基， 或氟; Q为（Q1），（Q2），（Q3），（Q4）; R4为未取代或取代甲基，乙基或 的C6-C14双环烷基; 未取代或取代甲基，乙基或 的C6-C14双环烯基; 未取代或取代甲基，乙基或 的C6-C14双环二烯基; 形式为（a）的基团，其中R7，R8，R9分别独立地为C1-C3烷基或C1-C3卤代烷基; 或形式为（b）的基团，其中R10和R11各自独立地为氢或卤素，n=1或2; R5和R6各自独立地为氢或卤素。这些新化合物具有保护植物的性质，适用于保护植物免受植物病原微生物的侵害。
• N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists
  申请人：Chambers Stuart Mark

  公开号：US20070117847A1

  公开（公告）日：2007-05-24

  The present invention provides a method of treatment of a subject suffering from a disease, such as schizophrenia, for which the administration of an NK-3 antagonist is indicated which comprises administering to that subject a therapeutically effective amount of a compound of formula I: wherein, generally, Q is R 1 is benzyl, phenyl, thiophene or imidazolyl optionally substituted with C 1-4 alkyl or halogen, such as methyl, fluorine or bromine; R 2 is hydrogen or C 1-4 alkyl such as methyl; R 3 is phenyl; R 4 is hydrogen; R 5 is hydrogen or C 1-6 alkylcarbonyl such as methylcarbonyl; X is —SO 2 — or —C(O)N(R 2 )SO 2 — where R 2 is preferably hydrogen; Y is a bond, CH 2 or Z 1 where Z 1 is —N(R f )— in which R f is C 1-6 alkylcarbonyl such as ethylcarbonyl; and R 6 is phenyl, pyrazolyl, pyridyl, pyrimidinyl or benzimidazolonyl optionally substituted with one or two groups chosen from C 1-6 alkyl and benzyl, such as methyl, ethyl and benzyl; or a pharmaceutically acceptable salt thereof.

  本发明提供了一种治疗患有疾病（如精神分裂症）的受试者的方法，该疾病需要给予NK-3拮抗剂治疗，其中包括向该受试者给予化合物I的治疗有效量，化合物I的一般结构如下：其中，Q是；R1是苄基、苯基、噻吩基或咪唑基，可选地取代C1-4烷基或卤素，例如甲基、氟或溴；R2是氢或C1-4烷基，例如甲基；R3是苯基；R4是氢；R5是氢或C1-6烷基羰基，例如甲基羰基；X是-SO2-或-C（O）N（R2）SO2-，其中R2最好是氢；Y是键，CH2或Z1，其中Z1是-N（Rf）-，其中Rf是C1-6烷基羰基，例如乙酰基；R6是苯基、吡唑基、吡啶基、嘧啶基或苯并咪唑基，可选地取代一或两个来自C1-6烷基和苄基的基团，例如甲基、乙基和苄基；或其药学上可接受的盐。
• Compounds which potentiate AMPA receptor and uses thereof in medicine
  申请人：Harrison Stephen

  公开号：US20080045532A1

  公开（公告）日：2008-02-21

  Compounds of formula (I) and salts are provided: along with pharmaceutical compositions, uses in medicine, e.g., treating disease or condition mediated by a reduction or imbalance in glutamate receptor function, such as schizophrenia or cognition impairment.

  提供式(I)化合物和盐，以及药物组合物，用于医学上的用途，例如治疗由谷氨酸受体功能减弱或失衡引起的疾病或症状，如精神分裂症或认知障碍。