methyl 2-(4-(2-aminoethyl)phenyl)acetate | 683200-41-1

• 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: methyl 2-(4-(2-aminoethyl)phenyl)acetate
• 英文别名: Methyl 2-[4-(2-aminoethyl)phenyl]acetate
• CAS: 683200-41-1
• 化学式: C₁₁H₁₅NO₂
• mdl: MFCD09924837
• 分子量: 193.246
• InChiKey: LKBQJNLGSAZTEL-UHFFFAOYSA-N

物化性质

• 沸点：
  296.3±20.0 °C(Predicted)
• 密度：
  1.081±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.363
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 2-(4-(2-aminoethyl)phenyl)acetate 在 lithium hydroxide 、 三乙胺 作用下， 以 四氢呋喃 、 二氯甲烷 为溶剂， 生成 [4-(2-methanesulfonylamino-ethyl)-phenyl]-acetic acid
  参考文献：
  名称：

  Arylacetamide κ opioid receptor agonists with reduced cytochrome P450 2D6 inhibitory activity

  摘要：

  Some K opioid receptor agonists of the arylacetamide class, for example, ICI 199441 (1), were found to strongly inhibit the activity of cytochrome P450 2D6 (CYP2D6) (1: CYP2D6 IC50 = 26 nM). Certain analogs bearing a substituted sulfonylamino group, for example, 13, were discovered to have significantly reduced CYP2D6 inhibitory activity (13: CYP2D6 IC50 > 10 mu M) while displaying high affinity toward the cloned human K opioid receptor, good kappa/delta and kappa/mu selectivity, and potent in vitro and in vivo agonist activity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.020
• 作为产物：
  描述：

  methyl 2-(4-(cyanomethyl)phenyl)acetate 在 palladium on activated charcoal 盐酸 、 氢气 作用下， 以 甲醇 为溶剂， 25.0 ℃ 、482.63 kPa 条件下， 以59%的产率得到methyl 2-(4-(2-aminoethyl)phenyl)acetate
  参考文献：
  名称：

  Arylacetamide κ opioid receptor agonists with reduced cytochrome P450 2D6 inhibitory activity

  摘要：

  Some K opioid receptor agonists of the arylacetamide class, for example, ICI 199441 (1), were found to strongly inhibit the activity of cytochrome P450 2D6 (CYP2D6) (1: CYP2D6 IC50 = 26 nM). Certain analogs bearing a substituted sulfonylamino group, for example, 13, were discovered to have significantly reduced CYP2D6 inhibitory activity (13: CYP2D6 IC50 > 10 mu M) while displaying high affinity toward the cloned human K opioid receptor, good kappa/delta and kappa/mu selectivity, and potent in vitro and in vivo agonist activity. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.03.020

文献信息

• [EN] HMG-COA REDUCTASE DEGRADATION INDUCING COMPOUND<br/>[FR] COMPOSÉ INDUISANT LA DÉGRADATION DE LA HMG-COA RÉDUCTASE
  申请人：UPPTHERA

  公开号：WO2021201577A1

  公开（公告）日：2021-10-07

  The present invention relates HMG-CoA reductase degradation inducing compounds. Specifically, the present invention relates a bifunctional compound in which a HMG-CoA reductase binding moiety and an E3 ubiquitin ligase-binding moiety are linked by a chemical linker. The present invention also relates a method for preparing the compounds, and a method for degradation of HMG-CoA reducatase using the compounds, as well as use for prevention or treatment of HMG-CoA reductase related diseases using the compounds.

  本发明涉及HMG-CoA还原酶降解诱导化合物。具体而言，本发明涉及一种双功能化合物，其中HMG-CoA还原酶结合基团和E3泛素连接酶结合基团通过化学连接剂连接。本发明还涉及一种制备这些化合物的方法，以及使用这些化合物降解HMG-CoA还原酶的方法，以及使用这些化合物预防或治疗与HMG-CoA还原酶相关疾病的方法。
• NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION
  申请人：LABORATORIOS MENARINI S.A.

  公开号：EP0874826A1

  公开（公告）日：1998-11-04
• EP4 ANTAGONISTS
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP3362454A1

  公开（公告）日：2018-08-22
• [EN] NAPHTHALENE QUINOLINES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION<br/>[FR] QUINOLEINES DE NAPHTALENE AYANT UNE ACTION ANTAGONISTE AUX LEUCOTRIENES
  申请人：LABORATORIOS MENARINI S.A.

  公开号：WO1997024331A1

  公开（公告）日：1997-07-10

  (EN) The present invention relates to novel naphthalene quinolines of formula (I), wherein the substituent containing A is bound to the 6- or 7-position of the 2-naphthol system; -R1, R2, R6 are independently hydrogen, fluorine, chlorine, bromine, -OCH3 or (C1-C4)-alkyl; R3 is hydrogen or methyl; R4, R5 are independently hydrogen, -OH, -NH2, (C1-C4)-alkyl, (C1-C4)-alkoxy, (C1-C4)-alkylamino, (C1-C4)-alkoxycarbonyl, (C1-C4)-alkylcarbonylamino, (C1-C4)-alkoxycarbonylalkyl, carbamoyl, carbamoylalkyl, N,N-dialkylcarbamoylalkyl; -A- is a diradical -O-, -S-, -SO2-, -SO-, -SO2NR7- or -NR7SO2- wherein R7 is hydrogen or (C1-C4)-alkyl; B is a sulfur or oxygen atom or a -SO2- or -SO- group or a single bond; D is a 5-tetrazolyl or -COOR8 group, wherein R8 is hydrogen, a (C1-C4)-alkyl; or a phenylalkyl group of less than 10 carbon atoms; m is an integer from 0 to 4; n and p are integers from 0 to 6, with the proviso that n + p is less or equal to 6. Said compounds show a leukotriene-antagonistic activity, and they are valuable as anti-inflammatory and antiallergic medicaments or in the treatment of cardiovascular diseases.(FR) La présente invention se rapporte à de nouvelles quinoléines de napthtalène de la formule (I) dans laquelle le substituant contenant A est lié à la position 6- ou 7- du système 2-naphthol; -R1, R2, R6 représentent indépendamment hydrogène, fluore, chlore, brome, -OCH3 ou (C1-C4)-alkyl; R3 représente hydrogène ou méthyle; R4, R5 représentent indépendamment hydrogène, -OH, -NH2, (C1-C4)-alkyle, (C1-C4)-alkoxy, (C1-C4)-alkylamino, (C1-C4)-alkoxy-carbonyl, (C1-C4)-alkylcarbonylamino, (C1-C4)-alkoxy-carbonylalkyle, carbamoyle, carbamoylalkyle, N, N-dialkylcarbamoyalkyle; -A- représente un diradical -O-, -S-, -SO2-, -SO-, -SO2NR7- ou -NR7SO2- où R7 représente hydrogène ou (C1-C4)-alkyle; B est un atome de soufre ou d'oxygène ou un groupe -SO2-, -SO- ou une liaison simple; D représente un groupe 5-tetrazolyl ou -COOR8, dans lequel R8 représente hydrogène, un (C1-C4)-alkyl ou un groupe phénylalkyle possédant moins de 10 atomes de carbone; m est un nombre entier compris en 0 et 4; n et p sont des nombres entiers compris 0 et 6, à condition que n + p soit inférieur ou égal à 6. Ces composés présentent une activité antagoniste aux leucotriènes et ils présentent un intérêt comme médicaments anti-inflammatoires et anti-allergiques, ou dans le traitement de maladies cardiovasculaires.
• [EN] EP4 ANTAGONISTS<br/>[FR] ANTAGONISTES D'EP4
  申请人：EISAI R&D MAN CO LTD

  公开号：WO2017066633A1

  公开（公告）日：2017-04-20

  We provide compounds given by Formula I, which is shown in FIG. 3, or pharmaceutically acceptable salts thereof, as well as formulations thereof and methods of use of those compounds and formulations for treatment of cancer.