1-(4-Chlorophenyl)-N-{[4-(3,4-dichlorobenzyl)morpholin-2-yl]methyl}cyclopropanecarboxamide trifluoroacetate | 407637-83-6

• 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: 1-(4-Chlorophenyl)-N-{[4-(3,4-dichlorobenzyl)morpholin-2-yl]methyl}cyclopropanecarboxamide trifluoroacetate
• 英文别名: 1-(4-chlorophenyl)-N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]cyclopropane-1-carboxamide;2,2,2-trifluoroacetic acid
• CAS: 407637-83-6
• 化学式: C₂HF₃O₂*C₂₂H₂₃Cl₃N₂O₂
• 分子量: 567.82
• InChiKey: LNTUWEMMOGLBNB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.33
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  78.9
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1-(4-氯苯基)-1-环丙烷羧酸 、 [4-(3,4-dichlorobenzyl)morpholin-2-yl]methylamine 生成 1-(4-Chlorophenyl)-N-{[4-(3,4-dichlorobenzyl)morpholin-2-yl]methyl}cyclopropanecarboxamide trifluoroacetate
  参考文献：
  名称：

  Morpholin-acetamide derivatives for the treatment of inflammatory diseases

  摘要：

  式(I)的化合物，其中：R1代表C1-16烷基，C2-6烯基，C2-6炔基，C2-6炔基-Y1—，芳基-Y1—，杂环芳基-Y1—，芳基-(O)t-芳基-Y1—，芳基-(O)t-杂环芳基-Y1—，杂环芳基-(O)t-芳基-Y1—，杂环芳基-(O)t-杂环芳基-Y1—，C2-6烯基-Y1—，芳基-O—Y1—，杂环芳基-O—Y1—，C1-16烷基-SO2—Y1—，M—Y1—，J2-Y1—，—CN或C3-8环烷基-Y1—或C3-8环烯基-Y1—，其中环烷基或环烯基可以选择地被一个或多个羟基或C1-16烷基基团取代；R2代表氢或C1-16烷基；X代表乙烯或公式CReRf的基团，其中Re和Rf独立地代表氢或C1-14烷基，或Re和Rf可以与它们连接的碳原子一起形成C3-8环烷基基团；R3和R4独立地代表氢或C1-14烷基；Z代表键，CO，SO2，CR9R6(CH2)n，(CH2)nCR9R6，CHR6(CH2)nO，CHR6(CH2)nS，CHR6(CH2)nOCO，CHR6(CH2)nCO，COCHR6(CH2)n或SO2CHR6(CH2)n；n代表一个从0到4的整数；它们的制备方法，包含它们的配方以及它们在治疗炎症性疾病中的用途。

  公开号：

  US20040058923A1

文献信息

• Process for the preparation of morpholine derivatives and intermediates therefore
  申请人：Hayes Alistair Martin

  公开号：US20050222147A1

  公开（公告）日：2005-10-06

  Processes for the preparation of a compound of formula (IIIA) or a salt thereof are disclosed.

  本发明揭示了制备式（IIIA）化合物或其盐的过程。
• MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES
  申请人：Ancliff Rachael Anne

  公开号：US20090163495A1

  公开（公告）日：2009-06-25

  There are provided according to the invention, novel compounds of formula (I) wherein R 1 , R 2 , R 3 , R 4 , R 5 , X, a, b and Z are as defined in the specification, processes for preparing them, formulations containing them and their use in therapy for the treatment of inflammatory diseases.

  根据本发明提供了新的化合物，化学式为（I），其中R1、R2、R3、R4、R5、X、a、b和Z的定义如规范中所述，制备它们的方法，包含它们的配方以及它们在治疗炎症性疾病中的应用。
• US7101882B2
  申请人：——

  公开号：US7101882B2

  公开（公告）日：2006-09-05
• US7560548B2
  申请人：——

  公开号：US7560548B2

  公开（公告）日：2009-07-14
• [EN] MORPHOLIN-ACETAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATORY DISEASES<br/>[FR] DERIVES DE MORPHOLINE-ACETAMIDE PERMETTANT DE TRAITER LES MALADIES INFLAMMATOIRES
  申请人：GLAXO GROUP LTD

  公开号：WO2002026722A1

  公开（公告）日：2002-04-04

  Compounds of formula (I) wherein: R1 represents C¿1-16? alkyl, C2-6alkenyl, C2-6alkynyl, C2-6alkynyl-Y?1¿-, aryl-Y1-, heteroaryl-Y1-, aryl-(O)¿t?-aryl-Y?1¿-, aryl-(O)¿t?-heteroaryl-Y?1¿-, heteroaryl-(O)¿t?-aryl-Y?1¿-, heteroaryl-(O)¿t?-heteroaryl-Y?1¿-, C¿2-6? alkenyl-Y?1¿-, aryl-O-Y1-, heteroaryl-O-Y1-, C¿1-16? alkyl-SO2-Y?1-,M-Y1-,J2-Y1¿-, -CN or C¿3-8? cycloalkyl-Y?1¿-or C¿3-8? cycloalkenyl-Y?1¿-, which cycloalkyl or cycloalkenyl may be optionally substituted by one or more hydroxyl or C¿1-16? Alkyl groups; R?2¿ represents hydrogen or C¿1-16? alkyl; X represents ethylene or a group of formula CR?eRf¿ wherein R?e and Rf¿ independently represent hydrogen or C1-14 alkyl or R?e and Rf¿ may together with the carbon atom to which they are attached form a C¿3-8? cycloalkyl group; R?3 and R4¿ independently represent hydrogen or C¿1-14? alkyl; Z represents a bond, CO, SO2, CR?9R6(CH¿2)n, (CH2)nCR?9R6, CHR6(CH¿2)nO, CHR6(CH2)nS, CHR6(CH2)nOCO, CHR6(CH2)nCO, COCHR6(CH2)n or SO2CHR6(CH2)n; n represents an integer from 0 to 4; processes for preparing them, formulations containing them and their use in therapy for the treatment of inflammatory diseases.