摩熵化学
数据库官网
小程序
打开微信扫一扫
首页 分子通 化学资讯 化学百科 反应查询 关于我们
请输入关键词

1,1-dimethylethyl-2-[(4-fluorophenyl)carbonyl]-4-morpholinecarboxylate | 645379-74-4

中文名称
——
中文别名
——
英文名称
1,1-dimethylethyl-2-[(4-fluorophenyl)carbonyl]-4-morpholinecarboxylate
英文别名
Tert-butyl 2-(4-fluorobenzoyl)morpholine-4-carboxylate
1,1-dimethylethyl-2-[(4-fluorophenyl)carbonyl]-4-morpholinecarboxylate化学式
CAS
645379-74-4
化学式
C16H20FNO4
mdl
——
分子量
309.338
InChiKey
DQDDWDPSUVACGV-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

计算性质

  • 辛醇/水分配系数(LogP):
    2.3
  • 重原子数:
    22
  • 可旋转键数:
    4
  • 环数:
    2.0
  • sp3杂化的碳原子比例:
    0.5
  • 拓扑面积:
    55.8
  • 氢给体数:
    0
  • 氢受体数:
    5

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    参考文献:
    名称:
    [EN] N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ AND/ OR SEROTONIN REUPTAKE INHIBITORS
    [FR] COMPOSES DE N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE EN TANT QU'INHIBITEURS DE RECAPTAGE DE LA TACHYKININE ET/OU DE LA SEROTONINE
    摘要:
    本发明涉及式(1)的杂环衍生物,其中R1代表一个5或6成员杂芳基团,在其中5成员杂芳基团至少含有氧、硫或氮中选择的一个杂原子,而6成员杂芳基团含有1至3个氮原子,或者R1代表一个4、5或6成员杂环基团,其中所述的5或6成员杂芳基或4、5或6成员杂环基团可以选择地被1至3个取代基取代,所述取代基可以相同或不同,选择自(CH2)pR6,其中p为零或1至4的整数,其中R和R2-R6如描述中定义,并且其药学上可接受的盐和溶剂化合物;其制备方法及其在通过催产素介导的疾病和/或通过选择性抑制血清素再摄取转运蛋白的治疗中的用途。
    公开号:
    WO2004005255A1
  • 作为产物:
    参考文献:
    名称:
    [EN] N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ AND/ OR SEROTONIN REUPTAKE INHIBITORS
    [FR] COMPOSES DE N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE EN TANT QU'INHIBITEURS DE RECAPTAGE DE LA TACHYKININE ET/OU DE LA SEROTONINE
    摘要:
    本发明涉及式(1)的杂环衍生物,其中R1代表一个5或6成员杂芳基团,在其中5成员杂芳基团至少含有氧、硫或氮中选择的一个杂原子,而6成员杂芳基团含有1至3个氮原子,或者R1代表一个4、5或6成员杂环基团,其中所述的5或6成员杂芳基或4、5或6成员杂环基团可以选择地被1至3个取代基取代,所述取代基可以相同或不同,选择自(CH2)pR6,其中p为零或1至4的整数,其中R和R2-R6如描述中定义,并且其药学上可接受的盐和溶剂化合物;其制备方法及其在通过催产素介导的疾病和/或通过选择性抑制血清素再摄取转运蛋白的治疗中的用途。
    公开号:
    WO2004005255A1
点击查看最新优质反应信息

文献信息

  • [EN] 3-DIARYLMETHYLENES AND USES THEREOF<br/>[FR] 3-DIARYLMÉTHYLÈNES ET LEURS UTILISATIONS
    申请人:ATUX ISKAY LLC
    公开号:WO2021188949A1
    公开(公告)日:2021-09-23
    3-Diarylmethylenes are disclosed. The compounds activate PP2A, suppress oncogenic kinase signaling, and negatively regulate MYC and MYCN in cancer. The compounds also induce FOXO transcription factor translocation to the nucleus by modulating PP2A and, as a consequence, exhibit anti-proliferative effects. They are useful in the treatment of a variety of disorders, including as a monotherapy in cancer treatment, or used in combination with other drugs to restore sensitivity to chemotherapy where resistance has developed.
    3-二芳基亚甲基烯已被披露。这些化合物激活PP2A,抑制致癌激酶信号传导,并在癌症中负调节MYC和MYCN。这些化合物还通过调节PP2A诱导FOXO转录因子转位到细胞核,从而表现出抗增殖效应。它们在治疗各种疾病中很有用,包括作为单药治疗癌症,或与其他药物联合使用以恢复对化疗的敏感性,尤其是在出现耐药性的情况下。
  • N-benzyl-3-phenyl-3-heterocyclyl-propionamide compounds as tachykinin and/or serotonin reuptake inhibitors
    申请人:Alvaro Giuseppe
    公开号:US20060058348A1
    公开(公告)日:2006-03-16
    The present invention relates to heterocyclic derivatives of formula (I) wherein R represents halogen, C 1-4 alkyl, cyano, C 1-4 alkoxy, trifluoromethyl or trifluoromethoxy; R 1 represents a 5 or 6 membered heteroaryl group, in which the 5-membered heteroaryl group contains at least one heteroatom selected from oxygen, sulphur or nitrogen and the 6-membered heteroaryl group contains from 1 to 3 nitrogen atoms, or R 1 represents a 4, 5 or 6 membered heterocyclic group, wherein saids 5 or 6 membered heteroaryl or the 4, 5 or 6 membered heterocyclic group may optionally be substituted by one to three substituents, which may be the same or different, selected from (CH 2 ) p R 6 , wherein p is zero or an integer from 1 to 4 and R 6 is selected from: halogen, C 1-4 alkoxy, C 1-4 alkyl, C 3-7 cycloalkyl, C 1-4 alkyl optionally substituted by halogen, cyano or C 1-4 alkoxy, hydroxy, cyano, nitro, trifluoromethyl, carboxy, NH(C 1-4 alkyl), N(C 1-4 alkyl) 2 NH(C 3-7 cycloalkyl), N(C 1-4 alkyl)(C 3-7 cycloalkyl); NH(C 1-4 alkylOC 1-4 alkoxy), OC(O)NR 7 R 8 , NR 8 C(O)R 7 or C(O)NR 7 R 8 ; R 2 represents hydrogen, or C 1-4 alkyl; R 3 and R 4 independently represent hydrogen, C 1-4 alkyl or R 3 together with R 4 represents C 3-7 cycloalkyl; R 5 represents trifluoromethyl, S(O) q C 1-4 alkyl, C 1-4 alkyl, C 1-4 alkoxy, trifluoromethoxy, halogen or cyano; R 7 and R 8 independently represent hydrogen, C 1-4 alkyl or C 3-7 cycloalkyl; L is a single or a double bond; n is an integer from 1 to 3; m is zero or an integer from 1 to 3; q is zero or an integer from 1 to 2; provided that a) when L is a double bond, R 1 is not an optionally substituted 5 or 6 membered heteroaryl group, in which the 5-membered heteroaryl group contains at least one heteroatom selected from oxygen, sulphur or nitrogen and the 6-membered heteroaryl group contains from 1 to 3 nitrogen atoms; b) the group R 1 is linked to the carbon atom shown as * via a carbon atom; and c) when the heteroatom contained in the group R 1 is substituted, p is not zero; and pharmaceutically acceptable salts and solvates thereof; process for their preparation and their use in the treatment of conditions mediated by tachykinins and/or by selective inhibition of serotonin reuptake transporter protein.
    本发明涉及公式(I)的杂环衍生物,其中R代表卤素、C1-4烷基、氰基、C1-4烷氧基、三氟甲基或三氟甲氧基;R1代表一个5或6成员的杂芳基团,其中5成员杂芳基团含有至少一个从氧、硫或氮中选择的杂原子,6成员杂芳基团含有从1到3个氮原子,或R1代表一个4、5或6成员的杂环基团,其中所述的5或6成员杂芳基或4、5或6成员的杂环基团可以选修为1至3个取代基,所述取代基可以是相同的或不同的,选自(CH2)pR6,其中p为零或1至4的整数,R6选自:卤素、C1-4烷氧基、C1-4烷基、C3-7环烷基、C1-4烷基(可选地取代为卤素、氰基或C1-4烷氧基)、羟基、氰基、硝基、三氟甲基、羧基、NH(C1-4烷基)、N(C1-4烷基)2NH(C3-7环烷基)、N(C1-4烷基)(C3-7环烷基);NH(C1-4烷基OC1-4烷氧基)、OC(O)NR7R8、NR8C(O)R7或C(O)NR7R8;R2代表氢或C1-4烷基;R3和R4独立地代表氢、C1-4烷基或R3与R4一起代表C3-7环烷基;R5代表三氟甲基、S(O)qC1-4烷基、C1-4烷基、C1-4烷氧基、三氟甲氧基、卤素或氰基;R7和R8独立地代表氢、C1-4烷基或C3-7环烷基;L是单键或双键;n是1至3的整数;m是零或1至3的整数;q是零或1至2的整数;前提是a)当L是双键时,R1不是可选修饰的含有至少一个从氧、硫或氮中选择的杂原子的5或6成员杂芳基团,6成员杂芳基团含有从1到3个氮原子;b)R1团与所示碳原子通过碳原子相连;c)当R1团中含有的杂原子被取代时,p不为零;以及其药学上可接受的盐和溶剂酸化物;它们的制备过程及其在治疗由Tachykinins介导和/或通过选择性抑制血清素再摄取转运蛋白介导的疾病中的用途。
  • N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ ANTAGONISTS AND/OR SEROTONIN REUPTAKE INHIBITORS
    申请人:GLAXO GROUP LIMITED
    公开号:EP1517894B1
    公开(公告)日:2006-09-06
  • [EN] N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE COMPOUNDS AS TACHYKININ AND/ OR SEROTONIN REUPTAKE INHIBITORS<br/>[FR] COMPOSES DE N-BENZYL-3-PHENYL-3-HETEROCYCLYL-PROPIONAMIDE EN TANT QU'INHIBITEURS DE RECAPTAGE DE LA TACHYKININE ET/OU DE LA SEROTONINE
    申请人:GLAXO GROUP LTD
    公开号:WO2004005255A1
    公开(公告)日:2004-01-15
    The present invention relates to heterocyclic derivatives of formula (1) wherein R1 represents a 5 or 6 membered heteroaryl group, in which the 5-membered heteroaryl group contains at least one heteroatom selected from oxygen, sulphur or nitrogen and the 6-membered heteroaryl group contains from 1 to 3 nitrogen atoms, or R1 represents a 4,5 or 6 membered heterocyclic group, wherein saids 5 or 6 membered heteroaryl or the 4,5 or 6 membered heterocyclic group may optionally be substituted by one to three substituents, which may be the same or different, selected from (CH2)pR6, wherein p is zero or an integer from 1 to 4 and wherein R and R2- R6 are each as defined in the description and pharmaceutically acceptable salts and solvates thereof; process for their preparation and their use in the treatment of conditions mediated by tachykinins and/or by selective inhibition of serotonin reuptake transporter protein.
    本发明涉及式(1)的杂环衍生物,其中R1代表一个5或6成员杂芳基团,在其中5成员杂芳基团至少含有氧、硫或氮中选择的一个杂原子,而6成员杂芳基团含有1至3个氮原子,或者R1代表一个4、5或6成员杂环基团,其中所述的5或6成员杂芳基或4、5或6成员杂环基团可以选择地被1至3个取代基取代,所述取代基可以相同或不同,选择自(CH2)pR6,其中p为零或1至4的整数,其中R和R2-R6如描述中定义,并且其药学上可接受的盐和溶剂化合物;其制备方法及其在通过催产素介导的疾病和/或通过选择性抑制血清素再摄取转运蛋白的治疗中的用途。
查看更多