3-(1H-咪唑-2-基)-苯胺 | 161887-05-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 3-(1H-咪唑-2-基)-苯胺
• 英文名称: 3-(1H-imidazol-2-yl)aniline
• CAS: 161887-05-4
• 化学式: C₉H₉N₃
• mdl: MFCD00632053
• 分子量: 159.19
• InChiKey: ICYYPKINHSREND-UHFFFAOYSA-N

物化性质

• 熔点：
  203-204 °C
• 沸点：
  444.3±28.0 °C(Predicted)
• 密度：
  1.238±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  1
• 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：
  2

安全信息

• 海关编码：
  2933290090

反应信息

• 作为反应物：
  描述：

  4-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester 、 3-(1H-咪唑-2-基)-苯胺 、 三氟乙酸 在 二甲基亚砜 作用下， 以 正丁醇 为溶剂， 反应 24.0h， 生成 tert-butyl 4-[4-(3-[1H-imidazol-2-yl]phenylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
  参考文献：
  名称：

  Substituted pyrrolo[2.3-B]pyridines

  摘要：

  公式（I）所代表的化合物，或其立体异构体或药学上可接受的盐，是动物，包括人类中至少两种Abl，Aurora-A，Blk，c-Raf，cSRC，Src，PRK2，FGFR3，Flt3，Lck，Mek1，PDK-1，GSK3β，EGFR，p70S6K，BMX，SGK，CaMKII，Tie-2，IGF-1R，Ron，Ret和KDR激酶的抑制剂，用于治疗和/或预防各种疾病和病况，如癌症。

  公开号：

  US07465726B2

文献信息

• [EN] DIARYLUREAS AS CB1 ALLOSTERIC MODULATORS<br/>[FR] DIARYLURÉES EN TANT QUE MODULATEURS ALLOSTÉRIQUES DE CB1
  申请人：RTI INT

  公开号：WO2018209030A1

  公开（公告）日：2018-11-15

  The present invention provides novel diarylurea derivatives (compounds of formula (I)) and their uses. The compounds of the present invention are demonstrated to be allosteric modulators of the CB1 receptor, and therefore useful for the treatment of diseases and conditions mediated by CB1.

  本发明提供了新颖的二芳基脲衍生物（式（I）化合物）及其用途。本发明的化合物被证明是CB1受体的变构调节剂，因此对于治疗由CB1介导的疾病和症状是有用的。
• [EN] AMIDE COMPOUNDS<br/>[FR] COMPOSES AMIDES
  申请人：FUJISAWA PHARMACEUTICAL CO

  公开号：WO2001025229A1

  公开（公告）日：2001-04-12

  Amide compounds of formula (I) wherein R1 is an N-containing heterocyclic group selected from imidazolyl, triazolyl, pyridyl, pyridazinyl, pyrimidinyl and pyrazinyl, each of which may be substituted with one or more lower alkyl groups, R2 is a hydrogen atom or a lower alkyl group, and R3 is a phenyl group substituted with thienyl or halophenyl; a thienyl group substituted with thienyl, phenyl or halophenyl; a pyrrolyl group substituted with phenyl; a thiazolyl group substituted with phenyl; an indolyl group substituted with lower alkyl and/or halo(lower)alkyl; a fluorenyl group; or a carbazolyl group, and salts thereof which have 5-HT antagonism activity.

  化合物的式子为（I），其中R1是一种含氮杂环基团，可选自咪唑基，三唑基，吡啶基，吡嗪啉基，嘧啶基和吡嗪基，每个基团都可以用一个或多个较低烷基基团取代；R2是氢原子或较低烷基基团；R3是苯基，取代有噻吩基或卤代苯基；取代有噻吩基，苯基或卤代苯基的噻吩基；取代有苯基的吡咯基；取代有苯基的噻唑基；取代有较低烷基和/或卤代较低烷基的吲哚基；芴基；或咔唑基，以及具有5-HT拮抗活性的盐。
• 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。
• Aryl-amino substituted pyrrolopyrimidine multi-kinase inhibiting compounds
  申请人：Ahmed Saleh

  公开号：US20060211678A1

  公开（公告）日：2006-09-21

  Compounds represented by Formula (I): or stereoisomers or pharmaceutically acceptable salts thereof, are inhibitors of least two of the Abl, Aurora-A, Blk, c-Raf, cSRC, Src, PRK2, FGFR3, Flt3, Lck, Mek1, PDK-1, GSK3β, EGFR, p70S6K, BMX, SGK, CaMKII, Tie-2, IGF-1R, Ron, Ret, and KDR kinases in animals, including humans, for the treatment and/or prevention of various diseases and conditions such as cancer.

  化合物式(I)所代表的化合物，或其立体异构体或药学上可接受的盐，是动物，包括人类体内至少两种Abl，Aurora-A，Blk，c-Raf，cSRC，Src，PRK2，FGFR3，Flt3，Lck，Mek1，PDK-1，GSK3β，EGFR，p70S6K，BMX，SGK，CaMKII，Tie-2，IGF-1R，Ron，Ret和KDR激酶的抑制剂，用于治疗和/或预防各种疾病和病症，如癌症。
• Diarylureas as CB1 allosteric modulators
  申请人：Research Triangle Institute

  公开号：US11084781B2

  公开（公告）日：2021-08-10

  The present invention provides novel diarylurea derivatives (compounds of formula (I)) and their uses. The compounds of the present invention are demonstrated to be allosteric modulators of the CB1 receptor, and therefore useful for the treatment of diseases and conditions mediated by CB1.

  本发明提供了新型二芳脲衍生物（式（I）化合物）及其用途。本发明的化合物被证明是 CB1 受体的异位调节剂，因此可用于治疗由 CB1 介导的疾病和病症。