N-{[(2S)-4-(3,4-Dichlorobenzyl)morpholin-2-yl]methyl}-N'-prop-2-ynylurea | 408303-46-8

• 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-{[(2S)-4-(3,4-Dichlorobenzyl)morpholin-2-yl]methyl}-N'-prop-2-ynylurea
• 英文别名: 1-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-3-prop-2-ynylurea
• CAS: 408303-46-8
• 化学式: C₁₆H₁₉Cl₂N₃O₂
• 分子量: 356.252
• InChiKey: ZMLBFPWNXWIJCP-ZDUSSCGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  23
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  53.6
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  4-nitrophenyl [(2S)-4-(3,4-dichlorobenzyl)morpholin-2-yl]methylcarbamate 、 炔丙胺 、 二氯甲烷 以 三乙胺 为溶剂， 以to yield the title compound (0.064 g)的产率得到N-{[(2S)-4-(3,4-Dichlorobenzyl)morpholin-2-yl]methyl}-N'-prop-2-ynylurea
  参考文献：
  名称：

  Compounds useful in the treatment of inflammatory diseases

  摘要：

  根据本发明，提供了式（I）的新型化合物，其中R1、R2、R3、R4、R5、R6、X、a、b和Z如规范中所定义，制备它们的过程，包含它们的配方以及它们在治疗炎症性疾病方面的应用。

  公开号：

  US07157457B2

文献信息

• [EN] COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES<br/>[FR] COMPOSES UTILES DANS LE TRAITEMENT DE MALADIES INFLAMMATOIRES
  申请人：GLAXO GROUP LTD

  公开号：WO2002026723A1

  公开（公告）日：2002-04-04

  There are provided according to the invention, novel compounds of formula (I) wherein R?1, R2, R3, R4, R5, R6¿, 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型化合物(I)的公式，其中R1、R2、R3、R4、R5、R6、X、a、b和Z的定义如规范中所述，制备它们的过程，含有它们的配方以及它们在治疗炎症性疾病中的用途。
• COMPOUNDS USEFUL IN THE TREATMENT OF INFLAMMATORY DISEASES
  申请人：GLAXO GROUP LIMITED

  公开号：EP1324991A1

  公开（公告）日：2003-07-09
• US7157457B2
  申请人：——

  公开号：US7157457B2

  公开（公告）日：2007-01-02
• [EN] MORPHOLINYLMETHYLUREAS CCR-3 RECEPTOR ANTAGONIST<br/>[FR] MORPHOLINYLMETHYLURE UTILISEE COMME ANTAGONISTES DU RECEPTEUR CCR-3
  申请人：GLAXO GROUP LTD

  公开号：WO2003099798A1

  公开（公告）日：2003-12-04

  Compounds of formula (I): wherein:R1 represents C3-8 cycloalkyl-Y1-, aryl-Y1-, heteroaryl-Y1-, aryl- G-Y1-, heteroaryl-G-Y1-, C1-6 alkyl-G-Y1-, J1-Y1-, R22R23N-Y1-, R22R23N-CO-Y1- or R24-CONR22-Y1-; Q represents -(CR19R20)(CR19aR20a)t-, wherein t represents an integer from 0 to 3;R2 and R3 independently represent hydrogen or C1-6 alkyl;X represents ethylene or a group of formula CReRf wherein Re and Rf independently represent hydrogen or C1-4 alkyl or Re and Rf may together with the carbon atom to which they are attached form a C3-8 cycloalkyl group; R4 and R5 independently represent hydrogen or C1-4 alkyl; Z represents a bond, CO, SO2, CR10R7(CH2)n, (CH2)nCR10R7, CR10R7(CH2)nO, CR10R7(CH2)nS, CR10R7(CH2)nCO, COCR10R7(CH2)n or SO2CR10R7(CH2)n; R6 represents aryl, heteroaryl or aryl-C2-6 alkenyl-; R7 represents hydrogen, C1-4 alkyl, CONR8R9 or COOC1-6 alkyl;a and b represent 1 or 2, such that a+b represents 2 or 3;G represents -S-, -SO2-, -SO2NR21, -NR21SO2 or -NR21-; n represents an integer from 0 to 4; J1 independently represents a moiety of formula (K): wherein X1 represents oxygen, NR11 or sulphur, X2 represents CH2, oxygen, NR12 or sulphur, m1 represents an integer from 1 to 3, m2 represents an integer from 1 to 3, provided that m1+m2 is in the range from 3 to 5, also provided that when both X1 and X2 represent oxygen, NR11, NR12 or sulphur, m1 and m2 must both not equal less than 2, wherein K is optionally substituted by one or more (eg. 1 or 2) -Y3-aryl, -Y3-heteroaryl, -Y3-CO-aryl, -Y3-CO-heteroaryl, -C1-6 alkyl, -Y3-COOC1-6 alkyl, -Y3-COC1-6 alkyl, -Y3-W, -Y3-CO-W, -Y3-NR15R16, -Y3-CONR15R16, hydroxy, oxo, -Y3-SO2NR15R16, -Y3-SO2C1-6 alkyl, -Y3-SO2aryl, -Y3-SO2heteroaryl, -Y3-NR13C1-6 alkyl, -Y3-NR13SO2C1-6 alkyl, -Y3-NR13CONR15R16, -Y3-NR13COOR14 or -Y3-OCONR15R16 groups, and is optionally fused to a monocyclic aryl or heteroaryl ring;R8, R9, R10, R11, R12, R13 and R14 independently represent hydrogen or C1-6 alkyl; R15 and R16 independently represent hydrogen or C1-6 alkyl or R15 and R16 together with the nitrogen atom to which they are attached may form a morpholine, piperidine or pyrrolidine ring; R17, R18, R19, R20, R19a, R20a, and R21 independently represent hydrogen or C1-4 alkyl; R22 and R23 independently represent hydrogen, C1-6 alkyl, C3-8 cycloalkyl or C3-8cycloalkylC1-6alkyl; R24 represents C1-6 alkyl, C3-8 cycloalkyl, aryl or heteroaryl; W represents a saturated or unsaturated, non-aromatic 5-7