3-(1-methyl-1H-imidazol-2-yl)aniline | 245547-16-4

• 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-(1-methyl-1H-imidazol-2-yl)aniline
• 英文别名: 3-(1-methyl-1H-imidazol-2-yl)benzenamine；3-(1-methylimidazol-2-yl)aniline
• CAS: 245547-16-4
• 化学式: C₁₀H₁₁N₃
• mdl: MFCD09035978
• 分子量: 173.217
• InChiKey: FDXRWEXMHPODFN-UHFFFAOYSA-N

物化性质

• 沸点：
  395.0±44.0 °C(Predicted)
• 密度：
  1.17±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  13
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.1
• 拓扑面积：
  43.8
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-(1-methyl-1H-imidazol-2-yl)aniline 、 2,4-二氯-5 硝基嘧啶 在 N,N-二异丙基乙胺 作用下， 以 DMF (N,N-dimethyl-formamide) 为溶剂， 生成 intermediate 19
  参考文献：
  名称：

  [EN] TRIAZOLOPYRIMIDINE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS
  [FR] DERIVES DE TRIAZOLOPYRIMIDINE EN TANT QU'INHIBITEURS DE GLYCOGENE SYNTHASE KINASE 3

  摘要：

  公开号：

  WO2005012304A3
• 作为产物：
  描述：

  2-(3-硝基苯基)-1H-咪唑 在 铁粉 、 potassium carbonate 、 氯化铵 作用下， 以 乙醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 10.0h， 生成 3-(1-methyl-1H-imidazol-2-yl)aniline
  参考文献：
  名称：

  MODULATORS OF MITOCHONDRIAL DNA REPLICATION

  摘要：

  The present invention provides novel sulfonamide compounds that are modulators of POLγ for treating various diseases such as cancer and others associated with metabolic disorders and mitochondrial dysfunction.

  公开号：

  WO2024137813A1

文献信息

• [EN] NOVEL KINASE INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS DE KINASES
  申请人：ORIGENIS GMBH

  公开号：WO2014060113A1

  公开（公告）日：2014-04-24

  The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases. These diseases include autoimmune diseases, inflammatory diseases, bone diseases, metabolic diseases, neurological and neurodegenerative diseases, cancer, cardiovascular diseases, allergies, asthma, alzheimer's disease, parkinson's disease, skin disorders, eye diseases, infectious diseases and hormone-related diseases.

  本发明涉及一种具有公式（I）的新化合物，能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复的激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体。这些化合物在治疗多种疾病中发挥作用。这些疾病包括自身免疫疾病、炎症性疾病、骨疾病、代谢性疾病、神经和神经退行性疾病、癌症、心血管疾病、过敏、哮喘、阿尔茨海默病、帕金森病、皮肤疾病、眼部疾病、传染病和激素相关疾病。
• [EN] PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS<br/>[FR] PYRAZOLO[4,3-D]PYRIMIDINES UTILES EN TANT QU'INHIBITEURS DE KINASES
  申请人：ORIGENIS GMBH

  公开号：WO2014060112A1

  公开（公告）日：2014-04-24

  The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases. These diseases include autoimmune diseases, inflammatory diseases, bone diseases, metabolic diseases, neurological and neurodegenerative diseases, cancer, cardiovascular diseases, allergies, asthma, alzheimer's disease, parkinson's disease, skin disorders, eye diseases, infectious diseases and hormone-related diseases.

  本发明涉及具有式（I）的新化合物，其能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复的激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体。这些化合物可用于治疗多种疾病。这些疾病包括自身免疫疾病、炎症性疾病、骨疾病、代谢性疾病、神经和神经退行性疾病、癌症、心血管疾病、过敏、哮喘、阿尔茨海默病、帕金森病、皮肤疾病、眼部疾病、传染病和激素相关疾病。
• Triazolopyrimidine derivatives as glycogen synthase kinase 3 inhibitors
  申请人：Freyne Jean Edgard Eddy

  公开号：US20060183747A1

  公开（公告）日：2006-08-17

  This invention concerns compounds of formula a N-oxide, a pharmaceutically acceptable addition salt, a quaternary amine and a stereochemically isomeric form thereof, wherein ring A represents phenyl, pyridyl, pyrimidinyl, pyridazinyl or pyrazinyl; R 1 represents hydrogen; aryl; formyl; C 1-6 alkylcarbonyl; C 1-6 alkyl; C 1-6 alkyloxycarbonyl; C 1-6 alkyl substituted with formyl, C 1-6 alkylcarbonyl, C 1-6 alkyloxycarbonyl, C 1-6 alkylcarbonyloxy; or optionally substituted C 1-6 alkyloxyC 1-6 alkylcarbonyl; X 1 represents a direct bond; —(CH 2 ) n3 — or —(CH 2 ) n4 —X 1a —X 1b —; R 2 represents optionally substituted C 3-7 cycloalkyl; phenyl; a 4, 5, 6- or 7-membered monocyclic heterocycle containing at least one hetetoatom selected from O, S or N; benzoxazolyl or a radical of formula X 2 represents a direct bond; —NR 1 —; —NR 1 —(CH 2 ) n3 —; —O—; —O—(CH 2 ) n3 —; —C(═O)—; —C(═O)—(CH 2 ) n3 —; —C(═O)—NR 5 —(CH 2 ) n3 —; —C(═S)—; —S—; —S(═O) n1 —; —(CH 2 ) n3 —; —(CH 2 ) n4 —X 1a —X 1b —; —X 1a —X 1b —(CH 2 ) n4 —; —S(═O) n1 —NR 5 —(CH 2 ) n3 —NR 5 — or —S(═O) n1 —NR 5 —(CH 2 ) n3 —; R 3 represents an optionally substituted 5- or 6-membered monocyclic heterocycle containing at least one heteroatom selected from O, S or N, or a 9- or 10-membered bicyclic heterocycle containing at least one heteroatom selected from O, S or N; R 4 represents hydrogen; halo; hydroxy; optionally substituted C 1-4 alkyl; optionally substituted C 2-4 alkenyl or C 2-4 alkynyl; polyhaloC 1-3 alkyl; optionally substituted C 1-4 alkyloxy; polyhaloC 1-3 alkyloxy; C 1-4 alkylthio; polyhaloC 1-3 alkylthio; C 1-4 alkyloxycarbonyl; C 1-4 alkylcarbonyloxy; C 1-4 alkylcarbonyl; polyhaloC 1-4 alkylcarbonyl; nitro; cyano; carboxyl; NR 9 R 10 ; C(═O)NR 9 R 10 ; —NR 5 —C(═O)—NR 9 R 10 ; —NR 5 —C(═O)—R 11 ; —S(═O) n1 —R 11 ; —NR 5 —S(═O) n1 —R 11 ; —S—CN; —NR 5 —CN; their use, pharmaceutical compositions comprising them and processes for their preparation.

  这项发明涉及式子a的化合物，其为N-氧化物，具有药学上可接受的加成盐、季铵盐和立体化学异构体形式，其中环A代表苯基、吡啶基、嘧啶基、吡嗪基或吡唑基；R1代表氢、芳基、甲酰基、C1-6烷基羰基、C1-6烷基、C1-6烷氧羰基、C1-6烷基取代的甲酰基、C1-6烷基羰基、C1-6烷氧羰基、C1-6烷基羰氧基，或可选取代的C1-6烷氧基C1-6烷基羰基；X1代表直接键、—(CH2)n3—或—(CH2)n4—X1a—X1b—；R2代表可选取代的C3-7环烷基、苯基、含有至少一个杂原子从O、S或N中选择的4、5、6-或7-成员的单环杂环、苯并噁唑基或式子X2的基团；R3代表可选取代的含有至少一个杂原子从O、S或N中选择的5-或6-成员的单环杂环，或含有至少一个杂原子从O、S或N中选择的9-或10-成员的双环杂环；R4代表氢、卤素、羟基、可选取代的C1-4烷基、可选取代的C2-4烯基或C2-4炔基、多卤素C1-3烷基、可选取代的C1-4烷氧基、多卤素C1-3烷氧基、C1-4烷基硫基、多卤素C1-3烷基硫基、C1-4烷氧羰基、C1-4烷基羰氧基、C1-4烷基羰基、多卤素C1-4烷基羰基、硝基、氰基、羧基、NR9R10、C(═O)NR9R10、—NR5—C(═O)—NR9R10、—NR5—C(═O)—R11、—S(═O)n1—R11、—NR5—S(═O)n1—R11、—S—CN、—NR5—CN。它们的用途，包括它们的制药组合物和制备它们的方法。
• Aminobenzamide derivatives as glycogen synthase kinase 3 beta inhibitors
  申请人：Freyne Edgard Eddy Jean

  公开号：US20060063789A1

  公开（公告）日：2006-03-23

  This invention concerns a compound of formula a N-oxide, a pharmaceutically acceptable addition salt, a quaternary amine and a stereochemically isomeric form thereof, wherein ring A represents a 6-membered heterocycle; R 1 is hydrogen; aryl; formyl; C 1-6 alkylcarbonyl; optionally substituted C 1-6 alkyl; C 1-6 alkyloxycarbonyl; optionally substituted C 1-6 alkyloxyC 1-6 alkylcarbonyl; X is a direct bond or a linker atom or group; Z is O or S; R 2 is hydrogen, C 1-10 alkyl, C 2-10 alkenyl, C 2-10 alkynyl, a carbocycle or a heterocycle, each of said groups may optionally be substituted; R 3 is hydrogen; hydroxy; halo; optionally substituted C 1-6 alkyl or C 2-6 alkenyl or C 2-6 alkynyl; C 1-6 alkyloxy; C 1-6 alkylthio; C 1-6 alkyloxycarbonyl; C 1-6 alkylcarbonyloxy; carboxyl; cyano; nitro; amino; mono- or di(C 1-6 alkyl)amino; polyhaloC 1-6 alkyl; polyhaloC 1-6 alkyloxy; polyhaloC 1-6 alkylthio; R 21 ; R 21 —C 1-6 alkyl; R 21 —O—; R 21 —S—; R 21 —C(═O)—; R 21 —S(═O) p —; R 7 —S(═O) p —; R 7 —S(═O) p —NH—; R 21 —S(═O) p —NH—; R 7 —C(═O)—; —NHC(═O)H; —C(═O)NHNH 2 ; R 7 —C(═O)—NH—; R 21 —C(═O)—NH—; —C(═NH)R 7 ; —C(═NH)R 21 ; R 4a or R 4b each independently represent hydrogen, R 8 , —Y 1 —NR 9 —Y 2 —NR 10 R 11 , —Y 1 —NR 9 —Y 1 —R 8 , —Y 1 —NR 9 R 10 ; provided that —X—R 2 and/or R 3 is other than hydrogen; their use, pharmaceutical compositions comprising them and processes for their preparation.

  本发明涉及公式a的化合物，其为N-氧化物、药学上可接受的加合盐、季铵盐及其立体化学异构体，其中环A代表一个6元杂环；R1为氢；芳基；甲酰基；C1-6烷基羰基；可选择取代的C1-6烷基；C1-6烷氧羰基；可选择取代的C1-6烷氧基C1-6烷基羰基；X为直接键或连接原子或基团；Z为氧或硫；R2为氢、C1-10烷基、C2-10烯基、C2-10炔基、碳环或杂环，其中每个所述基团均可选择性地被取代；R3为氢；羟基；卤素；可选择取代的C1-6烷基或C2-6烯基或C2-6炔基；C1-6烷氧基；C1-6烷硫基；C1-6烷氧羰基；C1-6烷基羰酸酯基；羧基；氰基；硝基；氨基；单烷基或双(C1-6烷基)氨基；多卤C1-6烷基；多卤C1-6烷氧基；多卤C1-6烷硫基；R21；R21—C1-6烷基；R21—O—；R21—S—；R21—C(═O)—；R21—S(═O)p—；R7—S(═O)p—；R7—S(═O)p—NH—；R21—S(═O)p—NH—；R7—C(═O)—；—NHC(═O)H；—C(═O)NHNH2；R7—C(═O)—NH—；R21—C(═O)—NH—；—C(═NH)R7；—C(═NH)R21；R4a或R4b各自独立地代表氢、R8、—Y1—NR9—Y2—NR10R11、—Y1—NR9—Y1—R8、—Y1—NR9R10；前提是—X—R2和/或R3不为氢；其用途、包含它们的制药组合物以及它们的制备方法。
• Novel kinase inhibitors
  申请人：Thormann Michael

  公开号：US20120329785A1

  公开（公告）日：2012-12-27

  The present invention relates to novel compounds of formula (I) that are capable of inhibiting one or more kinases, especially SYK (Spleen Tyrosine Kinase), LRRK2 (Leucine-rich repeat kinase 2) and/or MYLK (Myosin light chain kinase) or mutants thereof. The compounds find applications in the treatment of a variety of diseases.

  本发明涉及式（I）的新型化合物，这些化合物能够抑制一个或多个激酶，特别是SYK（脾酪氨酸激酶）、LRRK2（富含亮氨酸重复的激酶2）和/或MYLK（肌球蛋白轻链激酶）或其突变体。这些化合物可用于治疗各种疾病。