N-[2-(4-carbomethoxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(3-chlorophenyl)-ethanamine | 91097-81-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-[2-(4-carbomethoxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(3-chlorophenyl)-ethanamine
• 英文别名: BRL 35135；methyl 4-[2-[(3-chloro-β-hydroxyphenethyl)-amino]propyl]phenoxyacetate；(RR,SS)-N-[2-(4-carbomethoxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(3-chlorophenyl)ethanamine；N-[2-(4-carbomethoxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(3-chlorophenyl) ethanamine；N-[2-(4-carbomethoxymethoxyphenyl)-1-methylethyl)-2-hydroxy-2-(3-chlorophenyl)ethanamine；N-[2-(4-carbomethoxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(3-chlorophenyl)ethanamine；Methyl 4-(2-(2-hydroxy-2-(3-chlorophenyl)ethylamino)propyl)phenoxyacetate；methyl 2-[4-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]phenoxy]acetate
• CAS: 91097-81-3
• 化学式: C₂₀H₂₄ClNO₄
• 分子量: 377.868
• InChiKey: ZFLBZHXQAMUEFS-UHFFFAOYSA-N

物化性质

• 沸点：
  520.8±45.0 °C(Predicted)
• 密度：
  1.209±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  26
• 可旋转键数：
  10
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  67.8
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  N-[2-(4-carbomethoxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(3-chlorophenyl)-ethanamine 在 氢氧化钾 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 48.5h， 生成 4-<2-<5-(3-chlorophenyl)-2-oxooxazolidin-3-yl>propyl>phenoxyethanoic acid
  参考文献：
  名称：

  新的恶唑烷的合成，恶唑烷-2-酮和全氢化-1,4-恶嗪的芳基乙醇胺衍生物作为潜在的β 3肾上腺素能受体兴奋剂

  摘要：

  的新的环状化合物，芳基乙醇胺衍生物，与潜在合成的β 3肾上腺素能受体激动剂的选择性，这是与热作用和胰岛素释放的调节相关，进行了描述。获得恶唑烷，恶唑烷-2-酮和全氢-1,4-恶嗪衍生物。的一些合成的化合物的药理作用的初步评估显示lypolysis的在大鼠脂肪细胞与效力和效率类似于用于其它认可观察到活化的β 3肾上腺素能激动剂。

  DOI：

  10.1002/jhet.5570320504
• 作为产物：
  描述：

  (1R)-2-氨基-1-(3-氯苯基)乙醇 、 4-(2-氧代丙基)苯氧乙酸甲酯 在 正己烷 作用下， 生成 N-[2-(4-carbomethoxymethoxyphenyl)-1-methylethyl]-2-hydroxy-2-(3-chlorophenyl)-ethanamine
  参考文献：
  名称：

  Ethanamine derivatives their preparation and use in pharmaceutical

  摘要：

  式（II）的化合物：##STR1## 其中R.sub.1是氢、氟、氯或溴原子或羟基、羟甲基、甲基、甲氧基、氨基、甲酰胺基、乙酰胺基、甲磺酰胺基、硝基、苄氧基、甲磺酰甲基、脲基、三氟甲基或对甲氧基苄氨基基团；R.sub.2是氢、氟、氯或溴原子或羟基；R.sub.3是氢、氯或溴原子或羟基；R.sub.4是氢原子或甲基基团；R.sub.5是氢原子或甲基基团；R.sub.6是氢、氟或氯原子或甲基、甲氧基或羟基团；X是氧原子或键；Y是最多6个碳原子的烷基基团或键；Z是最多10个碳原子的烷基、烯基或炔基团，已被发现具有抗肥胖和/或抗高血糖活性。

  公开号：

  US04338333A1

文献信息

• Compounds
  申请人：Beecham Group p.l.c.

  公开号：US05153210A1

  公开（公告）日：1992-10-06

  A compound of the general formula (I): ##STR1## or a pharmaceutically acceptable ester thereof; or a pharmaceutically acceptable salt thereof, wherein, R.sup.o represents a substituted or unsubstituted aryl group or a substituted or unsubstituted benzofuranyl group, X represents a bond or --O--CH.sub.2 --, R.sup.1 represents a hydrogen atom or a moiety ##STR2## wherein R.sup.o and X are as defined above; R.sup.2 and R.sup.3 independently represent a hydrogen atom or an alkyl group, n represents an integer 1 or 2, Y represents a bond or a moiety --CH.sub.2 --O--, moiety A represents an aryl group, R.sup.4 represents a linking group, and R.sup.5 represents a substituted or unsubstituted, monocyclic or fused ring heterocyclic group, having up to four heteroatoms in each ring selected from, oxygen, nitrogen and sulphur; provided that R.sup.5 is not N-piperazinyl, N-piperadinyl, N-homopiperadinyl, N-pyrrolidinyl or N-morpholinyl; pharmaceutical compositions containing such compounds and their use in medicine and agriculture.

  通式(I)的化合物：##STR1##或其药学上可接受的酯；或其药学上可接受的盐，其中，R.sup.o代表取代或未取代的芳基或取代或未取代的苯并呋喃基团，X代表键或--O--CH.sub.2 --，R.sup.1代表氢原子或基团##STR2##其中R.sup.o和X如上定义；R.sup.2和R.sup.3独立地代表氢原子或烷基基团，n代表整数1或2，Y代表键或基团--CH.sub.2 --O--，基团A代表芳基，R.sup.4代表连接基团，R.sup.5代表取代或未取代的、单环或融合环杂环基团，在每个环中最多有四个氧、氮和硫杂原子；前提是R.sup.5不是N-哌嗪基、N-哌啶基、N-异哌啶基、N-吡咯啉基或N-吗啉基；含有这类化合物的药物组合物及其在医学和农业中的用途。
• Thiazolidinone, oxazolidinone, and imidazolone derivatives for treating non-inflammatory gastrointestinal tract disorders
  申请人：Fraser Oliver Matthew

  公开号：US20050113421A1

  公开（公告）日：2005-05-26

  A method is provided for using Cav2.2 subunit calcium channel modulators, particularly thiazolidinone, oxazolidinone, and imidazolone derivatives, to treat non-inflammatory gastrointestinal tract disorders.

  提供了一种方法，用于使用Cav2.2亚单位钙通道调节剂，特别是噻唑啉酮、噁唑啉酮和咪唑啉酮衍生物，来治疗非炎症性胃肠道疾病。
• Tertiary amines
  申请人：Beecham Group plc

  公开号：US04803293A1

  公开（公告）日：1989-02-07

  Compounds of formula (I): ##STR1## or a pharmaceutically acceptable salt thereof, in which R.sup.1 is hydrogen, halogen, or trifluoromethyl, R.sup.2 is hydrogen or halogen, R.sup.3 is hydroxyl, C.sub.1-6 alkoxy or ##STR2## where R.sup.8 and R.sup.9 are each hydrogen or C.sub.1-6 alkyl; R.sup.4 is hydrogen or C.sub.1-6 alkyl; R.sup.5 is hydrogen, C.sub.1-6 alkyl, C.sub.1-6 alkyl optionally substituted by hydroxy; cyano, C.sub.1-6 alkenyl or C.sub.1-6 alkynyl optionally substituted by carboxy or esters and amides thereof, phenyl, C.sub.1-6 alkyl phenyl or a group ##STR3## wherein R.sup.12 and R.sup.13 are each hydrogen or C.sub.1-6 alkyl or together, along with the nitrogen to which they are attached, form a 5- or 6-membered ring and m is 1 or 2; R.sup.6 is hydrogen or methyl: R.sup.7 is --O(CH.sub.2).sub.a CO.sub.2 H, --O(CH.sub.2).sub.b M, --CO.sub.2 H; or amide thereof in which a is an integer from 1 to 6, b is an integer from 2 to 7, and M is hydroxy, C.sub.1-6 alkoxy or ##STR4## in which R.sup.10 and R.sup.11 are each hydrogen or C.sub.1-6 alkyl or ##STR5## together form a five or six membered ring; and n is 1 or 2; with the proviso that when n is 2 and R.sup.1, R.sup.2, R.sup.4 and R.sup.6 are each hydrogen and R.sup.3 is hydroxyl, R.sup.5 is not hydroxymethyl or 1-hydroxy ethyl when R.sup.7 is CONH.sub.2 ; processes for preparing such compounds and their use in medicine.

  化学式(I)的化合物：##STR1##或其药学上可接受的盐，其中R.sup.1是氢，卤素或三氟甲基，R.sup.2是氢或卤素，R.sup.3是羟基，C.sub.1-6烷氧基或##STR2##其中R.sup.8和R.sup.9分别是氢或C.sub.1-6烷基; R.sup.4是氢或C.sub.1-6烷基; R.sup.5是氢，C.sub.1-6烷基，C.sub.1-6烷基可选择地被羟基取代;氰基，C.sub.1-6烯基或C.sub.1-6炔基，可选择地被羧基或其酯和酰胺取代，苯基，C.sub.1-6烷基苯基或##STR3##其中R.sup.12和R.sup.13分别是氢或C.sub.1-6烷基，或连同它们所连接的氮一起形成5-或6-成员环，m为1或2; R.sup.6是氢或甲基：R.sup.7是--O(CH.sub.2).sub.a CO.sub.2 H，--O(CH.sub.2).sub.b M，--CO.sub.2 H;或其酰胺，其中a是1到6的整数，b是2到7的整数，M是羟基，C.sub.1-6烷氧基或##STR4##其中R.sup.10和R.sup.11分别是氢或C.sub.1-6烷基或##STR5##共同形成五元或六元环; n为1或2；但当n为2且R.sup.1，R.sup.2，R.sup.4和R.sup.6分别为氢，而R.sup.3为羟基时，当R.sup.7为CONH.sub.2时，R.sup.5不是羟甲基或1-羟乙基；制备这种化合物的方法以及它们在医学上的用途。
• Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions
  申请人：Kõster Hubert

  公开号：US20100248264A1

  公开（公告）日：2010-09-30

  Capture compounds and collections thereof and methods using the compounds for the analysis of biomolecules are provided. In particular, collections, compounds and methods are provided for analyzing complex protein mixtures, such as the proteome. The compounds are multifunctional reagents that provide for the separation and isolation of complex protein mixtures. Automated systems for performing the methods also are provided.

  提供了捕获化合物及其集合以及使用这些化合物进行生物分子分析的方法。特别地，提供了用于分析复杂蛋白质混合物（如蛋白质组）的集合、化合物和方法。这些化合物是多功能试剂，可用于分离和分离复杂的蛋白质混合物。还提供了执行这些方法的自动化系统。
• Secondary phenylethanol amines, processes for their preparation and their pharmaceutical application
  申请人：BEECHAM GROUP PLC

  公开号：EP0070133A2

  公开（公告）日：1983-01-19

  Compounds of formula (I): and salts and in vivo hydrolysable acyl derivatives thereof, wherein R1 is hydrogen or methyl; R2 is hydrogen or methyl; R3 is phenyl unsubstituted or substituted with one or two of the following:- fluorine, chlorine, bromine, trifluoromethyl, C1-6 straight or branched chain alkyl or C1-6 straight or branched chain alkoxy; or is benzofuran-2-yl; R5 is a hydrogen, halogen, hydroxy, lower alkyl or lower alkoxy; R4 is moiety wherein X is C2-10 alkylene which may be straight or branched provided that the oxygen and nitrogen are separated by at least two carbon atoms, A is hydrogen; C1-6 straight or branched alkyl or benzyl optionally substituted with halogen, lower alkyl or lower alkoxy. R6 is hydrogen; C1-6 straight or branched alkyl; C1-6 straight or branched alkylsulphonyl R7 is C1-6 straight or branched alkyl; C1-6 straight or branched alkoxy; amino, mono- or di- (C1-6 straight or branched alkyl) amino; or is a 5,6 or 7 membered cyclic amine optionally containing a second hetero atom selected from oxygen, nitrogen and sulphur, and n is 1 or 2 have anti-obesity and anti-hyperglycaemic activity.

  式(I)化合物： 及其盐类和体内可水解酰基衍生物，其中 R1 是氢或甲基 R2 是氢或甲基 R3 是未取代的苯基或被下列一个或两个取代的苯基 氟、氯、溴、三氟甲基、C1-6 直链或支链烷基或 C1-6 直链或支链烷氧基；或苯并呋喃-2-基； R5 是氢、卤素、羟基、低级烷基或低级烷氧基； R4 是分子 其中 X 为 C2-10 亚烷基，可以是直链或支链亚烷基，条件是氧和氮至少相隔两个碳原子、 A 是氢；C1-6 直链或支链烷基或苄基，可选择被卤素、低级烷基或低级烷氧基取代。 R6 是氢；C1-6 直链或支链烷基；C1-6 直链或支链烷基磺酰基 R7 是 C1-6 直链或支链烷基；C1-6 直链或支链烷氧基；氨基，单-或二-（C1-6 直链或支链烷基）氨基；或 是 5、6 或 7 个成员的环胺，可选择含有选自氧、氮和硫的第二个杂原子、 且 n 为 1 或 2 的化合物具有抗肥胖和抗高血糖活性。