3-二甲基氨基-1-(2-萘)-1-丙醇 | 13634-66-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 中文名称: 3-二甲基氨基-1-(2-萘)-1-丙醇
• 英文名称: 3-dimethylamino-1-(2-naphthyl)propanol
• 英文别名: 1-Hydroxy-1--3-dimethylamino-propan；3-(Dimethylamino)-1-(naphthalen-2-YL)propan-1-OL；3-(dimethylamino)-1-naphthalen-2-ylpropan-1-ol
• CAS: 13634-66-7
• 化学式: C₁₅H₁₉NO
• mdl: MFCD08234419
• 分子量: 229.322
• InChiKey: MOCSVQOLWDFOND-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  17
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  23.5
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2922199090

反应信息

• 作为反应物：
  描述：

  3-二甲基氨基-1-(2-萘)-1-丙醇 在 盐酸 、 硫酸 作用下， 反应 90.0h， 生成 3-dimethylamino-1-(2-naphthyl)propanamine
  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
• 作为产物：
  描述：

  3-(二甲氨基)-1-萘-2-基丙烷-1-酮 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 反应 18.0h， 以100%的产率得到3-二甲基氨基-1-(2-萘)-1-丙醇
  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

• SMALL MOLECULE CMKLR1 ANTAGONISTS IN INFLAMMATORY DISEASE
  申请人：The Board of Trustees of the Leland Stanford Junior University

  公开号：US20200345661A1

  公开（公告）日：2020-11-05

  α-NETA analogs are provided for the treatment of inflammatory disease.

  α-NETA类似物用于治疗炎症性疾病。
• 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。
• WO2006/135694
  申请人：——

  公开号：——

  公开（公告）日：——
• [EN] UII-MODULATING COMPOUNDS AND THEIR USE<br/>[FR] COMPOSES MODULATEURS D'UII ET UTILISATION
  申请人：ACADIA PHARM INC

  公开号：WO2006135694A2

  公开（公告）日：2006-12-21

  [EN] 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.
  [FR] Composés à éléments aromatiques et procédés d'utilisation concernant divers composés de ce type pour le traitement et la prévention de maladies et de troubles liés au récepteur d'urotensine II.
• Synthesis and pharmacological evaluation of 3-aryl-3-azolylpropan-1-amines as selective triple serotonin/norepinephrine/dopamine reuptake inhibitors
  作者：Ki-Ho Lee、Chun-Eung Park、Kyung-Hyun Min、Yong-Je Shin、Coo-Min Chung、Hui-Ho Kim、Hae-Jeoung Yoon、Won-Kim、Eun-Ju Ryu、Yu-Jin Shin、Hyun-Sik Nam、Jeong-Woo Cho、Hee-Yoon Lee

  DOI：10.1016/j.bmcl.2010.07.021

  日期：2010.9

  A series of 3-aryl-3-azolylpropan-1-amines was prepared and screened for its capability of inhibiting monoamine reuptake. Analogs with nanomolar potency, good human in vitro microsomal stability, and low drug-drug interaction potential were described. In vivo models were used to evaluate the compound 19r for antidepressive, anxiolytic, and analgesic activity. (C) 2010 Elsevier Ltd. All rights reserved.