N-[3-dimethylamino-1-(4-methylphenyl)propyl]-3-phenylpropiolic amide

• 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-[3-dimethylamino-1-(4-methylphenyl)propyl]-3-phenylpropiolic amide
• 英文别名: N-[3-(dimethylamino)-1-(4-methylphenyl)propyl]-3-phenylprop-2-ynamide
• 化学式: C₂₁H₂₄N₂O
• 分子量: 320.434
• InChiKey: PJUTZPFXQFDNKQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  32.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  3-二甲氨基-1-(4-甲基苯基)丙醇 在 盐酸 、 4-二甲氨基吡啶 、 硫酸 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 186.0h， 生成 N-[3-dimethylamino-1-(4-methylphenyl)propyl]-3-phenylpropiolic amide
  参考文献：
  名称：

  Design, parallel synthesis and SAR of novel urotensin II receptor agonists

  摘要：

  A 30-membered library of amides based on the potent urotensin II (UII) receptor agonist FL104, has been synthesized from ten different carboxylic acids and three amines. A synthetic protocol producing the amides in 47-98% yield has been developed in which the purification involved only extractions and in a few cases filtration through an ion-exchange resin. It was found that 5 mg of starting material was enough to obtain reproducible results and excellent purities. Thus, the procedure is estimated to be transferable to fully automated systems. The synthesized compounds were evaluated for their Ull receptor agonistic activities using a cell-based assay (R-SAT). The most active compounds were the 4-trifluoromethylcinnamic amides of 1-(4-chlorophenyt)-3-dimethylamino-propylamine and 1-(2-naphthyl)-3-dimethylamino-propylamine, both showed EC50 values of 130 nM. (c) 2006 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2006.09.015

文献信息

• Piperididinyl and N-amidinopiperidinyl derivatives
  申请人：AVENTIS PHARMACEUTICALS INC.

  公开号：US20040067988A1

  公开（公告）日：2004-04-08

  This invention is directed to a compound of formula I which is useful for inhibiting the activity of Factor Xa, by combining said compound with a composition containing Factor Xa. The present invention is also directed to compositions containing compounds of the formula I, methods for their preparation, their use, such as in inhibiting the formation of thrombin or for treating a patient suffering from, or subject to, a disease state associated with a physiologically detrimental excess amount of thrombin.

  本发明涉及一种式子为I的化合物，该化合物可通过将其与含有Factor Xa的组合物结合来抑制Factor Xa的活性。本发明还涉及含有式子I的化合物的组合物，其制备方法以及它们的用途，例如抑制凝血酶的形成或治疗患有与生理上有害的凝血酶过量相关的疾病状态的患者。
• Novel methoxybenzamibe compounds for use in mch receptor related disorders
  申请人：Hogberg Thomas

  公开号：US20060235035A1

  公开（公告）日：2006-10-19

  Novel compounds of Formula (I) which modulate MCH activity are disclosed, in which A is a linker; Ar 1 is an aryl or heteroaryl group; R1 is a lower alkoxy group; R2 is an R1 group or hydrogen, an OH or an NH 2 group, Q together with the carbonyl forms an amide group, which is further substituted with an amine group; R5 is selected from hydrogen, halogen atoms, alkoxy groups, hydroxy, alkylamino groups, dialkylamino groups, hydroxylalkyl groups, carboxamido groups, acylamido groups, acyl groups, —CHO, nitrile, alkyl, alkenyl or alkynyl groups, —SCH 3 , partially or fully fluorinated alkyl, alkoxy or thioalkoxy groups such as —CH 2 CF 3 , —CF 2 CF 3 , —CF 3 , —OCF 3 , —SCF 3 ; —SO 2 NH 2 , —SO 2 NHAlk, —SO 2 NAlk 2 , —SO 2 Alk; X is H, F, Cl, Br, I, —SCH 3 , —CF 3 , —OCF 3 , —SCF 3 , OCH 3 , or lower alkyl or alkenyl group; R8 is halogen atoms, alkyl, alkenyl or alkynyl groups, cycloalkyl groups, aryl groups, heteroaryl groups, heterocyclyl groups, alkylcycloalkyl groups, alkylaryl groups, alkylheterocyclyl groups, alkylheteroaryl groups, arylalkoxy groups, aryloxy groups, alkoxy groups, dialkylamino groups, —CONHAlk, —CONHAr, —CONAlk 2 , —NHCO-Alk, —NHCO—Ar, —CO-Alk, —CO—Ar, —SCH 3 , partially or fully fluorinated alkyl, alkoxy or thioalkoxy groups; or R8 is R6-Ar 2 —B—, in which B is a single bond or a connecting moiety; Ar 2 is an Ar 1 group; R6 is an R5 group; and which are useful in the treatment or prevention of e.g. obesity, depression, diabetes, bulimia etc.

  本发明揭示了式（I）的新化合物，其调节MCH活性，其中A是连接剂；Ar1是芳基或杂环芳基基团；R1是较低的烷氧基团；R2是R1基团或氢、OH或NH2基团，Q与羰基一起形成酰胺基团，该酰胺基团进一步被取代为胺基团；R5选自氢、卤原子、烷氧基团、羟基、烷基氨基基团、二烷基氨基基团、羟基烷基基团、羧酰胺基团、酰胺基团、酰基、—CHO、腈、烷基、烯基或炔基基团、—SCH3、部分或完全氟化的烷基、烷氧基或硫代烷氧基团，如—CH2CF3、—CF2CF3、—CF3、—OCF3、—SCF3；—SO2NH2、—SO2NHAlk、—SO2NAlk2、—SO2Alk；X是H、F、Cl、Br、I、—SCH3、—CF3、—OCF3、—SCF3、OCH3或较低的烷基或烯基基团；R8是卤原子、烷基、烯基或炔基基团、环烷基基团、芳基基团、杂环芳基基团、烷基环烷基基团、烷基芳基基团、烷基杂环芳基基团、芳基烷氧基团、芳氧基团、烷氧基团、二烷基氨基基团、—CONHAlk、—CONHAr、—CONAlk2、—NHCO-Alk、—NHCO—Ar、—CO-Alk、—CO—Ar、—SCH3、部分或完全氟化的烷基、烷氧基或硫代烷氧基；或R8是R6-Ar2—B—，其中B是单键或连接基；Ar2是Ar1基团；R6是R5基团；并且这些化合物在治疗或预防肥胖症、抑郁症、糖尿病、贪食症等方面是有用的。
• UII-modulating compounds and their use
  申请人：Luthman Kristina Ingrid

  公开号：US20070043104A1

  公开（公告）日：2007-02-22

  Disclosed herein are novel aromatic-containing compounds and methods for using various aromatic-containing compounds for treatment and prevention of diseases and disorders related to the Urotensin II receptor.

  本文披露了新型芳香族含有化合物及其在治疗和预防与Urotensin II受体相关的疾病和疾病障碍方面的应用方法。
• Alkyl aromatic hydroalkylation for the production of plasticizers
  申请人：ExxonMobil Chemical Patents Inc.

  公开号：US10081593B2

  公开（公告）日：2018-09-25

  Provided are compounds of the following: wherein R1 is a saturated or unsaturated cyclic hydrocarbon optionally substituted with an alkyl and/or an OXO-ester, and R2 is a C4 to C14 hydrocarbyl, preferably the residue of a C4 to C14 OXO-alcohol. Also provided are processes for making the compounds and plasticized polymer compositions containing said compounds.

  提供了以下化合物： 其中 R1 是饱和或不饱和环状烃，可选择被烷基和/或 OXO 酯取代；R2 是 C4 至 C14 碳氢化合物，最好是 C4 至 C14 OXO 醇的残余物。此外，还提供了制造上述化合物和含有上述化合物的增塑聚合物组合物的工艺。
• WO2006/135694
  申请人：——

  公开号：——

  公开（公告）日：——