4-(吗啉甲基)苯甲酸盐酸盐 | 65101-82-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-(吗啉甲基)苯甲酸盐酸盐
• 英文名称: 4-[(morpholin-4-yl)methyl]benzoic acid hydrochloride
• 英文别名: 4-(morpholinomethyl)benzoic acid hydrochloride；4-(4-morpholinylmethyl)benzoic acid hydrochloride；4-(4-carboxy-benzyl)-morpholin-4-ium chloride；4-(4-Morpholinylmethyl)benzoic acid hydrochloride；4-(morpholin-4-ium-4-ylmethyl)benzoic acid;chloride
• CAS: 65101-82-8
• 化学式: C₁₂H₁₅NO₃*ClH
• 分子量: 257.717
• InChiKey: BJIWZYKXMZCYLR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.64
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  49.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2934999090

反应信息

• 作为反应物：
  描述：

  4-(吗啉甲基)苯甲酸盐酸盐 在 吡啶 、 氯化亚砜 作用下， 以 氯仿 为溶剂， 生成 4-(4-Morpholinylmethyl)benzoyl chloride
  参考文献：
  名称：

  Synthesis of N-aryl benzamides containing pharmacophoric tyrosine kinase inhibitor fragments

  摘要：

  New N-aryl 4-(arylaminomethyl)benzamides containing pharmacophoric heterocyclic fragments have been synthesized from 2-arylaminopyrimidine, 1-methylpiperazine, and morpholine derivatives and substituted benzoic acids.

  DOI：

  10.1134/s1070428015010182
• 作为产物：
  描述：

  对甲基苯甲酸甲酯 在 盐酸 、 N-溴代丁二酰亚胺(NBS) 、 偶氮二异丁腈 、 水 、 potassium carbonate 、 potassium iodide 作用下， 以 四氯化碳 、 乙醇 为溶剂， 反应 12.0h， 生成 4-(吗啉甲基)苯甲酸盐酸盐
  参考文献：
  名称：

  Synthesis and biological evaluation of Matijing-Su derivatives as potent anti-HBV agents

  摘要：

  A series of Matijing-Su (MTS, N-(N-benzoyl-L-phenylalanyl)-O-acetyl-L-phenylalanol) derivatives were synthesized and evaluated for their anti-hepatitis B virus (HBV) activity in 2.2.15 cells. The IC50 of compounds 14a (0.71 mu M), 13c (2.85 mu M), 13b (4.37 mu M), etc. and the selective index of 13g (161.01), 13c (90.45), 13a (85.09) etc. of the inhibition on the replication of HBV DNA were better than those of the positive control lamivudine (IC50: 82.42 mu M, SI: 41.59). Compounds 13o, 13p, and 16a also exhibited significant anti-HBV activity. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.08.001

文献信息

• [EN] N-HYDROXYFORMAMIDE COMPOUNDS AND COMPOSITIONS COMPRISING THEM FOR USE AS BMP1, TLL1 AND/OR TLL2 INHIBITORS<br/>[FR] COMPOSÉS N-HYDROXYFORMAMIDES ET COMPOSITIONS LES COMPRENANT POUR UNE UTILISATION COMME INHIBITEURS DE BMP1, TLL1 ET/OU TLL2
  申请人：GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO 2) LTD

  公开号：WO2017006296A1

  公开（公告）日：2017-01-12

  Compounds of Formulas (I) and (II) and salts thereof; methods of making and using the same, including use for inhibiting BMP1, TLL1 and/or TLL2 and in treatment of diseases associated with BMP1, TLL1 and/or TLL2 activity.

  公式（I）和（II）的化合物及其盐；制备和使用这些化合物的方法，包括用于抑制BMP1、TLL1和/或TLL2以及治疗与BMP1、TLL1和/或TLL2活性相关的疾病的用途。
• PROCESS FOR THE PREPARATION OF PIPERAZINYL AND DIAZEPANYL BENZAMIDE DERIVATIVES
  申请人：Choudhury Anusuya

  公开号：US20080171870A1

  公开（公告）日：2008-07-17

  The present invention is directed to a novel process for the preparation of piperazinyl and diazepanyl benzamide derivatives, useful for the treatment of disorders and conditions mediated by a histamine receptor, preferably the H3 receptor.

  本发明涉及一种新颖的制备哌嗪基和二氮平基苯甲酰胺衍生物的方法，用于治疗由组胺受体介导的疾病和病况，优选为H3受体。
• Process for the preparation of piperazinyl and diazepanyl benzamide derivatives
  申请人：Janssen Pharmaceutica NV

  公开号：US07893257B2

  公开（公告）日：2011-02-22

  The present invention is directed to a novel process for the preparation of piperazinyl and diazepanyl benzamide derivatives, useful for the treatment of disorders and conditions mediated by a histamine receptor, preferably the H3 receptor.

  本发明涉及一种新的制备哌嗪基和二氮平基苯甲酰胺衍生物的方法，用于治疗由组胺受体介导的疾病和症状，特别是H3受体。
• Antiviral ethers of aspartate protease substrate isosteres
  申请人：CIBA-GEIGY AG

  公开号：EP0708085A2

  公开（公告）日：1996-04-24

  Antiretroviral compounds (which are effective, for example, against HIV) of the formula I in which R₁ is an acyl radical lower-alkoxy-lower-alkanoyl whose lower alkoxy radical is unsubstituted or is substituted by halogen, phenyl, lower alkoxy or a heterocyclic radical selected from piperidinyl, pyrrolidinyl, tetrahydropyranyl, tetrahydrofuranyl, thiazolidinyl, thiazolyl, indolyl or 4H-1-benzopyranyl which is unsubstituted or substituted by oxo, hydroxyl, amino, lower alkyl, lower-alkoxycarbonyl and/or phenyl-lower-alkoxycarbonyl; lower alkanoyl which is unsubstituted or is substituted by one of the said unsubstituted or substituted heterocyclic radicals; arylcarbonyl or heterocyclylcarbonyl which are substituted by heterocyclyl or heterocyclyl-lower-alkyl; phenyl-lower-alkanoyl which is substituted by hydroxyl and lower alkyl; or arylsulfonyl; or the residue of an amino acid which is defined in accordance with the description (and which may be acylated on the amino nitrogen by one of the abovementioned acyl radicals); R₂ and R₃ are in each case cyclohexyl, cyclohexenyl, phenyl, naphthyl or tetrahydronaphthyl which are unsubstituted or substituted by lower alkyl, phenyl, cyanophenyl, phenyl-lower-alkyl, halogen, halo-lower-alkyl, cyano, hydroxyl, lower alkoxy, phenyl-lower-alkoxyl, pyridyl-lower-alkoxy, lower-alkoxy-lower-alkoxy, lower-alkoxycarbonyl-lower-alkoxy, carboxyl-lower-alkoxy, hydroxyl-lower-alkoxy, carbamoyl-lower-alkoxy, cyano-lower-alkoxy, and phenyl-lower-alkanesulfonyl which is unsubstituted or substituted by halogen; R₄ is lower alkyl, cyclohexyl or phenyl; and R₅ is lower alkyl; and n is 1 or 2, or salts thereof, are novel.

  式 I 的抗逆转录病毒化合物（例如对艾滋病毒有效的化合物 其中 R₁ 是低级烷氧基-低级烷酰基的酰基，其低级烷氧基未被取代或被卤素、苯基、低级烷氧基或选自哌啶基、吡咯烷基、四氢呋喃基、噻唑烷基、噻唑基、噻唑基、噻唑基、噻唑基、噻唑基、噻唑基、噻唑基、噻唑基、噻唑基、噻唑基、噻唑基、噻唑基、噻唑基、噻唑基、噻唑基）的杂环基取代、四氢吡喃基、四氢呋喃基、噻唑烷基、噻唑基、吲哚基或 4H-1- 苯并吡喃基中未被取代或被氧代、羟基、氨基、低级烷基、低级烷氧羰基和/或苯基-低级烷氧羰基取代的杂环基；未被取代或被上述未被取代或取代的杂环基之一取代的低级烷酰基； 被杂环基或杂环基-低级烷基取代的芳基羰基或杂环羰基； 被羟基和低级烷基取代的苯基-低级烷酰基；或芳基磺酰基； 或根据说明定义的氨基酸残基（可通过上述酰基之一在氨基氮上酰化）； R₂ 和 R₃ 在每种情况下均为环己基、环己烯基、苯基、萘基或四氢萘基，它们未被取代或被低级烷基、苯基、氰基苯基、苯基-低级烷基、卤素、卤代-低级烷基、氰基、羟基、低级烷氧基、苯基-低级烷氧基取代、吡啶-低级烷氧基、低级烷氧基-低级烷氧基、低级烷氧羰基-低级烷氧基、羧基-低级烷氧基、羟基-低级烷氧基、氨基甲酰基-低级烷氧基、氰基-低级烷氧基，以及未被取代或被卤素取代的苯基-低级烷磺酰基； R₄ 是低级烷基、环己基或苯基；R₅ 是低级烷基；n 是 1 或 2，或其盐是新型的。
• NOVEL PYRROLIDINE DERIVATIVE
  申请人：ZAIDAN HOJIN BISEIBUTSU KAGAKU KENKYU KAI

  公开号：EP0709373A1

  公开（公告）日：1996-05-01

  A novel pyrrolidine derivative represented by general formula (1) or a pharmaceutically acceptable salt thereof, having a prolyl endopeptidase inhibitor activity and promising as an active ingredient of an antiamnetic. In said formula R1 represents (1) lower alkyl (C₁-C₆) or (2) an optionally substituted hydrocarbon ring group (a 3- to 15-membered monocyclic or fused-ring group); n and m represent each an integer and the sum of them represents an integer of 0 to 2; X and E represent each oxygen. NR' (wherein R' represents hydrogen or C₁-C₆ alkyl), sulfur, phenylene, CH=CH or CH₂; A represents an amino acid or imino acid residue wherein the functional group(s) may be substituted, or a glycine residue wherein the amino group may be substituted; and Y1 represents C₃-C₈ cycloalkyl.

  一种通式（1）代表的新型吡咯烷衍生物或其药学上可接受的盐，具有脯氨酰内肽酶抑制剂活性，有望作为抗厌氧菌药的活性成分。在所述式中，R1 代表 (1) 低级烷基（C₁-C₆）或 (2) 任选取代的烃环基（3-15 元单环或融合环基）；n 和 m 各代表一个整数，二者之和代表 0-2 的整数；X 和 E 各代表氧。NR'（其中 R'代表氢或 C₁-C₆烷基）、硫、亚苯基、CH＝CH 或 CH₂；A 代表氨基酸或亚胺酸残基（其中官能团可被取代）或甘氨酸残基（其中氨基可被取代）；以及 Y1 代表 C₃-C₈环烷基。