2-(2-三氟甲基苯氧基)乙胺 | 850895-65-7

• 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: 2-(2-三氟甲基苯氧基)乙胺
• 英文名称: 2-(2-trifluoromethylphenoxy)ethylamine
• 英文别名: 2-(2-(trifluoromethyl)phenoxy)ethan-1-amine；2-[2-(Trifluoromethyl)phenoxy]ethanamine
• CAS: 850895-65-7
• 化学式: C₉H₁₀F₃NO
• mdl: MFCD06248867
• 分子量: 205.18
• InChiKey: RCWBAAWPVVQBLO-UHFFFAOYSA-N

物化性质

• 沸点：
  254.6±40.0 °C(Predicted)
• 密度：
  1.227±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  14
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.333
• 拓扑面积：
  35.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(2-三氟甲基苯氧基)乙胺 、 (2R)-2-(iodomethyl)-1,4-benzodioxane 以 乙醇 为溶剂， 反应 48.0h， 生成 (2S)-2-[((2-(2-trifluoromethylphenoxy)ethyl)-amino)methyl]-1,4-benzodioxane
  参考文献：
  名称：

  QSAR study for a novel series of ortho monosubstituted phenoxy analogues of α1-adrenoceptor antagonist WB4101

  摘要：

  A number of (S)- and (R)-2-[(2-phenoxyethyl)aminomethyl]-1,4-benzodioxanes unsubstituted or ortho monosubstituted at the phenoxy moiety were synthesized and tested in binding assays on the alpha(1a)-AR, alpha(1b)-AR alpha(1d)-AR and the 5-HT1A receptor. The affinity values of the new compounds 1-16 were compared with those of the enantiomers of the 2,6-dimethoxyphenoxy analogue, the well-known alpha(1) antagonist WB4101, finding that the unsubstituted derivative (S)-1 and the o-methyl, the o-t-butyl, the o-fluoro and the o-methoxy derivatives, (S)-2, (S)-4, (S)-8 and (S)-16, respectively, display a significantly specific 5-HT1A affinity, very close, with the exception of (S)-4, to the almost nanomolar one of (S)-WB4101. Otherwise sensible affinity decreases were recorded for the three alpha(1)-AR subtypes. A classical quantitative structure-activity relationship (Hansch) analysis was successfully applied to compounds (S)-1 to (S)-16 and (S)-WB4101 to rationalize such binding data. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.01.034
• 作为产物：
  描述：

  2-(2-(trifluoromethyl)phenoxy)ethanol 在 盐酸 、 sodium hydride 、 一水合肼 、 三乙胺 作用下， 以 二氯甲烷 、 乙二醇甲醚 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 2-(2-三氟甲基苯氧基)乙胺
  参考文献：
  名称：

  QSAR study for a novel series of ortho monosubstituted phenoxy analogues of α1-adrenoceptor antagonist WB4101

  摘要：

  A number of (S)- and (R)-2-[(2-phenoxyethyl)aminomethyl]-1,4-benzodioxanes unsubstituted or ortho monosubstituted at the phenoxy moiety were synthesized and tested in binding assays on the alpha(1a)-AR, alpha(1b)-AR alpha(1d)-AR and the 5-HT1A receptor. The affinity values of the new compounds 1-16 were compared with those of the enantiomers of the 2,6-dimethoxyphenoxy analogue, the well-known alpha(1) antagonist WB4101, finding that the unsubstituted derivative (S)-1 and the o-methyl, the o-t-butyl, the o-fluoro and the o-methoxy derivatives, (S)-2, (S)-4, (S)-8 and (S)-16, respectively, display a significantly specific 5-HT1A affinity, very close, with the exception of (S)-4, to the almost nanomolar one of (S)-WB4101. Otherwise sensible affinity decreases were recorded for the three alpha(1)-AR subtypes. A classical quantitative structure-activity relationship (Hansch) analysis was successfully applied to compounds (S)-1 to (S)-16 and (S)-WB4101 to rationalize such binding data. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2005.01.034

文献信息

• [EN] COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY<br/>[FR] COMPOSÉS ET COMPOSITIONS POUR TRAITER DES ÉTATS ASSOCIÉS À UNE ACTIVITÉ DE STING
  申请人：IFM DUE INC

  公开号：WO2020252240A1

  公开（公告）日：2020-12-17

  This disclosure features chemical entities (e.g., a compound or a pharmaceutically acceptable salt, and/or hydrate, and/or cocrystal, and/or drug combination of the compound) that inhibit (e.g., antagonize) Stimulator of Interferon Genes (STING). Said chemical entities are useful, e.g., for treating a condition, disease or disorder in which increased (e.g., excessive) STING activation (e.g., STING signaling) contributes to the pathology and/or symptoms and/or progression of the condition, disease or disorder (e.g., cancer) in a subject (e.g., a human). This disclosure also features compositions containing the same as well as methods of using and making the same.

  本公开涉及抑制（例如，拮抗）干扰素基因激活因子（STING）的化学实体（例如，化合物或药用可接受的盐，和/或水合物，和/或共晶，和/或化合物的药物组合）。所述化学实体是有用的，例如，用于治疗在受试者（例如，人）中增加（例如，过量）STING激活（例如，STING信号传导）有助于病理和/或症状和/或进展的状况、疾病或失调（例如，癌症）。本公开还涉及含有相同成分的药物组合物以及使用和制备相同成分的方法。
• [EN] IMIDAZO [1, 2 -A] PYRIDINE AND PYRAZOLO [1, 5 -A] PYRIDINE DERIVATIVES AS TRPV1 ANTAGONISTS<br/>[FR] DÉRIVÉS D'IMIDAZO[1,2-A]PYRIDINE ET DE PYRAZOLO[1,5-A]PYRIDINE EN TANT QU'ANTAGONISTES DU TRPV1
  申请人：GLAXO GROUP LTD

  公开号：WO2012045729A1

  公开（公告）日：2012-04-12

  A compound of formula of formula (I) wherein A represents a single bond, a CH2 group or a CH (Me) group; X1 represents a hydrogen atom, a fluorine atom or a methyl group; X2 represents a hydrogen atom, a fluorine atom, a methyl group or a CH2OH group; X3 represents a hydrogen atom, a fluorine atom or a CH2OH group, and at least two of X1, X2 and X3 are hydrogen; Y represents a C atom and Z represents a N atom or Y represents an N atom and Z represents a C atom. R1 represents a halogen atom, a C1-4 alkyl group, a trifluoromethyl group or a trifluoromethoxy group, and R2 and R3 are each independently selected from a hydrogen atom, a halogen atom, a C1-4 alkyl group, a trifluoromethyl group or a trifluoromethoxy group. or a pharmaceutically acceptable salt or solvate thereof. salt or solvate thereof.

  化合物的化学式为（I），其中A代表一个单键，一个CH2基团或一个CH（Me）基团；X1代表一个氢原子，一个氟原子或一个甲基基团；X2代表一个氢原子，一个氟原子，一个甲基基团或一个 OH基团；X3代表一个氢原子，一个氟原子或一个 OH基团，且至少两个X1、X2和X3中有两个是氢；Y代表一个碳原子，Z代表一个氮原子，或Y代表一个氮原子，Z代表一个碳原子。R1代表一个卤素原子，一个C1-4烷基基团，一个三氟甲基基团或一个三氟甲氧基团，R2和R3分别独立选择自一个氢原子，一个卤素原子，一个C1-4烷基基团，一个三氟甲基基团或一个三氟甲氧基团，或其药用可接受的盐或溶剂。
• 1-(4-Substituted phenyl)-1H-imidazoles compounds
  申请人：Schering A.G.

  公开号：US04851526A1

  公开（公告）日：1989-07-25

  Novel 1-(4-substituted phenyl)-1H-imidazoles and their use as antiarrhythmic, anti-hypertensive and anti-ischemic agents is described. Pharmaceutical formulations containing such compounds are also discussed.

  描述了1-(4-取代苯基)-1H-咪唑类化合物及其作为抗心律失常、降压和抗缺血剂的用途。还讨论了含有这些化合物的药物配方。
• Phenoxypropanol connected with phenylpiperazine and phenoxyalkylamine terminal in its side chain
  申请人：——

  公开号：US20030055066A1

  公开（公告）日：2003-03-20

  The invention disclosed some 1,4-dihydropiridine derivative chemically have pharmacologically with adrenoceptor blocking and calcium channel blocker is now emerging. The compound of 1,4-dihydropiridine derivative wherein has the formula I, wherein R selected from four group as follow 1 whetherin R present R 1 selected from halogen(X), hydrogen(H), saturated C 1 -C 6 alkyl chain, saturated C 1 -C 6 alkyoxyl chain, R 2 selected from 2 R 3 selected from halogen(X), hydrogen(H), saturated C 1 -C 6 alkyl chain, saturated C 1 -C 6 alkyoxyl chain, and O—(C 1 -C 3 )—CF 3 .

  该发明披露了一些具有肾上腺素受体阻滞和钙通道阻滞药理作用的1,4-二氢吡啶衍生物化合物正在出现。其中1,4-二氢吡啶衍生物化合物的化学式为I，其中R选自以下四个基团之一：1. 在R存在时，R1选自卤素（X），氢（H），饱和C1-C6烷基链，饱和C1-C6烷氧基链，R2选自2，R3选自卤素（X），氢（H），饱和C1-C6烷基链，饱和C1-C6烷氧基链，和O-(C1-C3)-CF3。
• 1-(4-substituted phenyl)-1H-imidazoles as cardiovascular agents
  申请人：SCHERING AKTIENGESELLSCHAFT

  公开号：EP0306440A2

  公开（公告）日：1989-03-08

  Novel 1-(4-substituted phenyl)-1H-imidazoles and their use as antiarrhythmic, anti-hypertensive and anti-ischemic agents is described. Pharmaceutical formulations containing such compounds are also discussed.

  介绍了新型 1-（4-取代苯基）-1H-咪唑类化合物及其作为抗心律失常、抗高血压和抗缺血药物的用途。还讨论了含有此类化合物的药物制剂。