6,7-二氟-1H-吲唑-3-胺 | 706805-37-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 中文名称: 6,7-二氟-1H-吲唑-3-胺
• 中文别名: 3-氨基-4,6-二氟-1H-吲唑；3-氨基-6,7-二氟-1H-吲唑
• 英文名称: 3-amino-6,7-difluoro-1H-indazole
• 英文别名: 6,7-difluoro-1H-indazole-3-amine；6,7-difluoro-1H-indazol-3-amine
• CAS: 706805-37-0
• 化学式: C₇H₅F₂N₃
• 分子量: 169.134
• InChiKey: SVCNLECORJCINH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  54.7
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335
• 储存条件：
  室温且干燥

反应信息

• 作为反应物：
  描述：

  6,7-二氟-1H-吲唑-3-胺 在 N,N-二异丙基乙胺 、 三氟乙酸 、 potassium iodide 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成
  参考文献：
  名称：

  Discovery of Novel Indazole Chemotypes as Isoform-Selective JNK3 Inhibitors for the Treatment of Parkinson’s Disease

  摘要：

  DOI：

  10.1021/acs.jmedchem.2c01410
• 作为产物：
  描述：

  2,3,4-三氟苯甲腈 在 肼 作用下， 以 乙醇 、 水 为溶剂， 反应 17.0h， 生成 6,7-二氟-1H-吲唑-3-胺
  参考文献：
  名称：

  Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof

  摘要：

  本发明涉及一般式(I)的新型吲唑衍生物： 1 其中：R为O、S或NH；R3为烷基、芳基、芳基烷基、杂芳基、杂芳基烷基、芳基、杂环、环烷基、烯基等基团；这些基团可以选择性地被一个或多个取代基取代；R4、R5、R6和R7分别选择自以下基团：氢、卤素、CN、NO 2 、NH 2 、OH、COOH、C(O)OR8、—O—C(O)R8、NR8R9、NHC(O)R8、C(O)NR8R9、NHC(S)R8、C(S)NR8R9、SR8、S(O)R8、SO 2 R8、NHSO 2 R8、SO 2 NR8R9、三氟甲基、三氟甲氧基、烷基、烷氧基、芳基、芳基烷基、杂芳基、杂芳基烷基、杂环、环烷基、烯基等；这些基团可以选择性地被一个或多个取代基取代。

  公开号：

  US20040014802A1
• 作为试剂：
  描述：

  一水合肼 、 2,3,4-三氟苯甲腈 、 乙酸乙酯 、 四氢呋喃 在 水 、 magnesium sulfate 、 氩 、 silica gel 、 cyclohexane, ethyl acetate 、 expected product 、 6,7-二氟-1H-吲唑-3-胺 作用下， 以 乙醇 、 水 为溶剂， 40.0~75.0 ℃ 、12.0 kPa 条件下， 反应 17.0h， 以are obtained in the form of a white solid melting at 183° C.的产率得到6,7-二氟-1H-吲唑-3-胺
  参考文献：
  名称：

  Aminoindazole derivatives and intermediates, preparation thereof, and pharmaceutical compositions thereof

  摘要：

  本发明涉及通式（I）的新型吲唑衍生物，其中：R为O、S或NH；R3为烷基、芳基、芳基烷基、杂芳基、杂芳基烷基、芳基、杂环、环烷基、烯基等基团；这些基团可能被一个或多个取代基取代；R4、R5、R6和R7独立地选择以下基团：氢、卤素、CN、NO2、NH2、OH、COOH、C（O）OR8、—O—C（O）R8、NR8R9、NHC（O）R8、C（O）NR8R9、NHC（S）R8、C（S）NR8R9、SR8、S（O）R8、SO2R8、NHSO2R8、SO2NR8R9、三氟甲基、三氟甲氧基、烷基、烷氧基、芳基、芳基烷基、杂芳基、杂芳基烷基、杂环、环烷基、烯基等；这些基团可能被一个或多个取代基取代。

  公开号：

  US06949579B2

文献信息

• Novel aminoindazole derivatives as medicaments and pharmaceutical compositions including them
  申请人：——

  公开号：US20040132794A1

  公开（公告）日：2004-07-08

  The present invention relates to novel derivatives of general formula (I) 1 in which R3 is a (1-6C)alkyl, aryl, aryl(1-6C)alkyl, heteroaryl, heteroaryl(1-6C)alkyl, aryl or heteroaryl fused to a (1-10C) cycloalkyl, heterocycle, heterocycloalkyl, cycloalkyl, adamantyl, polycycloalkyl, alkenyl, alkynyl, CONR1R2, COOR1, SO 2 R1, C(═NH)R1 or C(═NH)NR1 radical; R5, R6 and R7 are, independently of one another, chosen from the following radicals: halogen, CN, NO 2 , NH 2 , OH, OR8, COOH, C(O)OR8, —O—C(O)R8, NR8R9, NHC(O)R8, C(O)NR8R9, NHC(S)R8, C(S)NR8R9, SR8, S(O)R8, SO 2 R8, NHSO 2 R8, SO 2 NR8R9, —O—SO 2 R8, —SO 2 —O—R8, trifluoromethyl, trifluoromethoxy, (1-6C)alkyl, (1-6C)alkoxy, aryl, aryl(1-6C)alkyl, heteroaryl, heteroaryl(1-6C)alkyl, heterocycle, cycloalkyl, alkenyl, alkynyl, adamantyl or polycycloalkyl.

  该发明涉及通式(I)1的新颖衍生物，其中R3是(1-6C)烷基，芳基，芳基(1-6C)烷基，杂芳基，杂芳基(1-6C)烷基，芳基或杂芳基融合到(1-10C)环烷基，杂环，杂环烷基，环烷基，脱氢脂肪烷基，多环烷基，烯基，炔基，CONR1R2，COOR1，SO2R1，C(═NH)R1或C(═NH)NR1基团；R5、R6和R7分别选自以下基团：卤素，CN，NO2，NH2，OH，OR8，COOH，C(O)OR8，—O—C(O)R8，NR8R9，NHC(O)R8，C(O)NR8R9，NHC(S)R8，C(S)NR8R9，SR8，S(O)R8，SO2R8，NHSO2R8，SO2NR8R9，—O—SO2R8，—SO2—O—R8，三氟甲基，三氟甲氧基，(1-6C)烷基，(1-6C)烷氧基，芳基，芳基(1-6C)烷基，杂芳基，杂芳基(1-6C)烷基，杂环，环烷基，烯基，炔基，脱氢脂肪烷基或多环烷基。
• NOVEL AMINOINDAZOLE DERIVATIVES AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS INCLUDING THEM
  申请人：LESUISSE Dominique

  公开号：US20070155735A1

  公开（公告）日：2007-07-05

  The present invention relates to the use of novel derivatives of general formula (I) in which R3 is a (1-6C)alkyl, aryl, aryl(1-6C)alkyl, heteroaryl, heteroaryl(1-6C)alkyl, aryl or heteroaryl fused to a (1-10C) cycloalkyl, heterocycle, heterocycloalkyl, cycloalkyl, adamantyl, polycycloalkyl, alkenyl, alkynyl, CONR1R2, COOR1, SO 2 R1, C(═NH)R1 or C(═NH)NR1 radical; R5, R6 and R7 are, independently of one another, chosen from the following radicals: halogen, CN, NO 2 , NH 2 , OH, OR8, COOH, C(O)OR8, —O—C(O)R8, NR8R9, NHC(O)R8, C(O)NR8R9, NHC(S)R8, C(S)NR8R9, SR8, S(O)R8, SO 2 R8, NHSO 2 R8, SO 2 NR8R9, —O—SO 2 R8, —SO 2 —O—R8, trifluoromethyl, trifluoromethoxy, (1-6C)alkyl, (1-6C)alkoxy, aryl, aryl(1-6C)alkyl, heteroaryl, heteroaryl(1-6C)alkyl, heterocycle, cycloalkyl, alkenyl, alkynyl, adamantyl or polycycloalkyl, to treat a disease selected from the group consisting of: neurodegenerative diseases, strokes, cranial and spinal traumas and peripheral neuropathies, obesity, metabolic diseases, type II diabetes, essential hypertension, atherosclerotic cardiovascular diseases, polycystic ovaries syndrome, syndrome X, immunodeficiency and cancer.

  本发明涉及使用新的一般式（I）衍生物，其中R3是（1-6C）烷基，芳基，芳基（1-6C）烷基，杂环芳基，杂环芳基（1-6C）烷基，芳基或杂环芳基融合到（1-10C）环烷基，杂环，杂环环烷基，环烷基，金刚烷基，多环环烷基，烯基，炔基，CONR1R2，COOR1，SO2R1，C（═NH）R1或C（═NH）NR1基团；R5，R6和R7独立地选择以下基团：卤素，CN，NO2，NH2，OH，OR8，COOH，C（O）OR8，—O—C（O）R8，NR8R9，NHC（O）R8，C（O）NR8R9，NHC（S）R8，C（S）NR8R9，SR8，S（O）R8，SO2R8，NHSO2R8，SO2NR8R9，—O—SO2R8，—SO2—O—R8，三氟甲基，三氟甲氧基，（1-6C）烷基，（1-6C）烷氧基，芳基，芳基（1-6C）烷基，杂环芳基，杂环芳基（1-6C）烷基，杂环，环烷基，烯基，炔基，金刚烷基或多环环烷基，用于治疗以下疾病之一：神经退行性疾病，中风，颅脑和脊柱创伤和周围神经病变，肥胖症，代谢性疾病，2型糖尿病，原发性高血压，动脉粥样硬化性心血管疾病，多囊卵巢综合征，X综合征，免疫缺陷和癌症。
• USE OF AMINOINDAZOLE DERIVATIVES FOR THE INHIBITION OF TAU PHOSPHORYLATION
  申请人：LESUISSE Dominique

  公开号：US20080261997A1

  公开（公告）日：2008-10-23

  The present invention relates to the use of novel derivatives of general formula (I) in which R3 is a (1-6C)alkyl, aryl, aryl(1-6C)alkyl, heteroaryl, heteroaryl(1-6C)alkyl, aryl or heteroaryl fused to a (1-10C) cycloalkyl, heterocycle, heterocycloalkyl, cycloalkyl, adamantyl, polycycloalkyl, alkenyl, alkynyl, CONR1R2, COOR1, SO 2 R1, C(═NH)R1 or C(═NH)NR1 radical; R5, R6 and R7 are, independently of one another, chosen from the following radicals: halogen, CN, NO 2 , NH 2 , OH, OR8, COOH, C(O)OR8, —O—C(O)R8, NR8R9, NHC(O)R8, C(O)NR8R9, NHC(S)R8, C(S)NR8R9, SR8, S(O)R8, SO 2 R8, NHSO 2 R8, SO 2 NR8R9, —O—SO 2 R8, —SO 2 —O—R8, trifluoromethyl, trifluoromethoxy, (1-6C)alkyl, (1-6C)alkoxy, aryl, aryl(1-6C)alkyl, heteroaryl, heteroaryl(1-6C)alkyl, heterocycle, cycloalkyl, alkenyl, alkynyl, adamantyl or polycycloalkyl, to treat a disease selected from the group consisting of: neurodegenerative diseases, strokes, cranial and spinal traumas and peripheral neuropathies, obesity, metabolic diseases, type II diabetes, essential hypertension, atherosclerotic cardiovascular diseases, polycystic ovaries syndrome, syndrome X, immunodeficiency and cancer.

  本发明涉及使用新型通式（I）的衍生物，其中R3是（1-6C）烷基，芳基，芳基（1-6C）烷基，杂环芳基，杂环芳基（1-6C）烷基，芳基或杂环芳基融合到（1-10C）环烷基，杂环，杂环环烷基，环烷基，金刚烷基，多环环烷基，烯基，炔基，CONR1R2，COOR1，SO2R1，C（═NH）R1或C（═NH）NR1基团; R5，R6和R7分别选择以下基团：卤素，CN，NO2，NH2，OH，OR8，COOH，C（O）OR8，—O—C（O）R8，NR8R9，NHC（O）R8，C（O）NR8R9，NHC（S）R8，C（S）NR8R9，SR8，S（O）R8，SO2R8，NHSO2R8，SO2NR8R9，—O—SO2R8，—SO2—O—R8，三氟甲基，三氟甲氧基，（1-6C）烷基，（1-6C）烷氧基，芳基，芳基（1-6C）烷基，杂环芳基，杂环芳基（1-6C）烷基，杂环，环烷基，烯基，炔基，金刚烷基或多环环烷基，用于治疗以下疾病之一：神经退行性疾病，中风，头颅和脊髓创伤和周围神经病变，肥胖症，代谢性疾病，2型糖尿病，原发性高血压，动脉粥样硬化心血管疾病，多囊卵巢综合症，X综合症，免疫缺陷和癌症。
• Aminoindazole derivatives as medicaments and pharmaceutical compositions including them
  申请人：Aventis Pharma SA

  公开号：US07196109B2

  公开（公告）日：2007-03-27

  The present invention relates to the use of novel derivatives of general formula (I) in which R3 is a (1–6C)alkyl, aryl, aryl(1–6C)alkyl, heteroaryl, heteroaryl(1–6C)alkyl, aryl or heteroaryl fused to a (1–10C) cycloalkyl, heterocycle, heterocycloalkyl, cycloalkyl, adamantyl, polycycloalkyl, alkenyl, alkynyl, CONR1R2, COOR1, SO2R1, C(═NH)R1 or C(═NH)NR1 radical; R5, R6 and R7 are, independently of one another, chosen from the following radicals: halogen, CN, NO2, NH2, OH, OR8, COOH, C(O)OR8, —O—C(O)R8, NR8R9, NHC(O)R8, C(O)NR8R9, NHC(S)R8, C(S)NR8R9, SR8, S(O)R8, SO2R8, NHSO2R8, SO2NR8R9, —O—SO2R8, —SO2—O—R8, trifluoromethyl, trifluoromethoxy, (1–6C)alkyl, (1–6C)alkoxy, aryl, aryl(1–6C)alkyl, heteroaryl, heteroaryl(1–6C)alkyl, heterocycle, cycloalkyl, alkenyl, alkynyl, adamantyl or polycycloalkyl, to treat a disease selected from the group consisting of: neurodegenerative diseases, strokes, cranial and spinal traumas and peripheral neuropathies, obesity, metabolic diseases, type II diabetes, essential hypertension, atherosclerotic cardiovascular diseases, polycystic ovaries syndrome, syndrome X, immunodeficiency and cancer.

  本发明涉及使用通式（I）的新型衍生物，其中R3为（1-6C）烷基，芳基，芳基（1-6C）烷基，杂环芳基，杂环芳基（1-6C）烷基，芳基或融合到（1-10C）环烷基，杂环，杂环烷基，环烷基，金刚烷基，多环烷基，烯基，炔基，CONR1R2，COOR1，SO2R1，C（═NH）R1或C（═NH）NR1基团; R5，R6和R7独立地选择以下基团：卤素，CN，NO2，NH2，OH，OR8，COOH，C（O）OR8，—O—C（O）R8，NR8R9，NHC（O）R8，C（O）NR8R9，NHC（S）R8，C（S）NR8R9，SR8，S（O）R8，SO2R8，NHSO2R8，SO2NR8R9，—O—SO2R8，—SO2—O—R8，三氟甲基，三氟甲氧基，（1-6C）烷基，（1-6C）烷氧基，芳基，芳基（1-6C）烷基，杂环芳基，杂环芳基（1-6C）烷基，杂环，环烷基，烯基，炔基，金刚烷基或多环烷基，用于治疗选择自神经退行性疾病，中风，头部和脊髓创伤和周围神经病变，肥胖病，代谢性疾病，2型糖尿病，原发性高血压，动脉粥样硬化性心血管疾病，多囊卵巢综合症，X综合症，免疫缺陷和癌症的疾病组。
• Use of aminoindazole derivatives for the inhibition of tau phosphorylation
  申请人：Aventis Pharma SA

  公开号：US07629374B2

  公开（公告）日：2009-12-08

  The present invention relates to the use of novel derivatives of general formula (I) in which R3 is a (1-6C)alkyl, aryl, aryl(1-6C)alkyl, heteroaryl, heteroaryl(1-6C)alkyl, aryl or heteroaryl fused to a (1-10C) cycloalkyl, heterocycle, heterocycloalkyl, cycloalkyl, adamantyl, polycycloalkyl, alkenyl, alkynyl, CONR1R2, COOR1, SO2R1, C(═NH)R1 or C(═NH)NR1 radical; R5, R6 and R7 are, independently of one another, chosen from the following radicals: halogen, CN, NO2, NH2, OH, OR8, COOH, C(O)OR8, —O—C(O)R8, NR8R9, NHC(O)R8, C(O)NR8R9, NHC(S)R8, C(S)NR8R9, SR8, S(O)R8, SO2R8, NHSO2R8, SO2NR8R9, —O—SO2R8, —SO2—O—R8, trifluoromethyl, trifluoromethoxy, (1-6C)alkyl, (1-6C)alkoxy, aryl, aryl(1-6C)alkyl, heteroaryl, heteroaryl(1-6C)alkyl, heterocycle, cycloalkyl, alkenyl, alkynyl, adamantyl or polycycloalkyl, to treat a disease selected from the group consisting of: neurodegenerative diseases, strokes, cranial and spinal traumas and peripheral neuropathies, obesity, metabolic diseases, type II diabetes, essential hypertension, atherosclerotic cardiovascular diseases, polycystic ovaries syndrome, syndrome X, immunodeficiency and cancer.

  本发明涉及使用一般式（I）的新衍生物，其中R3是（1-6C）烷基，芳基，芳基（1-6C）烷基，杂环芳基，杂环芳基（1-6C）烷基，芳基或杂环芳基融合到（1-10C）环烷基，杂环，杂环环烷基，环烷基，金刚烷基，多环烷基，烯基，炔基，CONR1R2，COOR1，SO2R1，C（═NH）R1或C（═NH）NR1基团；R5、R6和R7分别选自以下基团：卤素，CN，NO2，NH2，OH，OR8，COOH，C（O）OR8，—O—C（O）R8，NR8R9，NHC（O）R8，C（O）NR8R9，NHC（S）R8，C（S）NR8R9，SR8，S（O）R8，SO2R8，NHSO2R8，SO2NR8R9，—O—SO2R8，—SO2—O—R8，三氟甲基，三氟甲氧基，（1-6C）烷基，（1-6C）烷氧基，芳基，芳基（1-6C）烷基，杂环芳基，杂环芳基（1-6C）烷基，杂环，环烷基，烯基，炔基，金刚烷基或多环烷基，用于治疗以下疾病中的一种：神经退行性疾病、中风、颅脑和脊柱外伤和周围神经病变、肥胖症、代谢疾病、2型糖尿病、原发性高血压、动脉粥样硬化心血管疾病、多囊卵巢综合征、X综合征、免疫缺陷和癌症。