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

ethyl 4-(tert-butoxycarbonylamino)cyclohexanecarboxylate

中文名称
——
中文别名
——
英文名称
ethyl 4-(tert-butoxycarbonylamino)cyclohexanecarboxylate
英文别名
ethyl 4-t-butoxycarbonylaminocyclohexanecarboxylate;ethyl 4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylate
ethyl 4-(tert-butoxycarbonylamino)cyclohexanecarboxylate化学式
CAS
——
化学式
C14H25NO4
mdl
——
分子量
271.357
InChiKey
KDAADPYICYRBEM-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):
    2.4
  • 重原子数:
    19
  • 可旋转键数:
    6
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    0.86
  • 拓扑面积:
    64.6
  • 氢给体数:
    1
  • 氢受体数:
    4

上下游信息

  • 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:
    描述:
    ethyl 4-(tert-butoxycarbonylamino)cyclohexanecarboxylate二异丁基氢化铝 作用下, 以 甲苯 为溶剂, 反应 2.0h, 以94%的产率得到BOC-4-氨基苄醇
    参考文献:
    名称:
    Design and Synthesis of Non-peptidic Inhibitors for the Syk C-Terminal SH2 Domain Based on Structure-Based In-Silico Screening
    摘要:
    Structure-based in-silico screening was carried out for the Syk C-terminal SH2 domain. Fragments that could interact with the pY or pY+1 pockets were selected by our in-silico screening. After tethering two fragments bound to these pockets, we have designed and synthesized new compounds that show favorable interaction with the pY+3 pocket. One such compound, having a cyclohexylmalonic acid moiety identified as a novel potent phosphotyrosyl mimetic, exhibited an affinity comparable to that of the monophosphorylated ligand peptide.
    DOI:
    10.1021/jm010313k
  • 作为产物:
    描述:
    二碳酸二叔丁酯苯佐卡因N,N-二异丙基乙胺 作用下, 以 乙腈 为溶剂, 反应 96.0h, 以83%的产率得到ethyl 4-(tert-butoxycarbonylamino)cyclohexanecarboxylate
    参考文献:
    名称:
    Design and Synthesis of Non-peptidic Inhibitors for the Syk C-Terminal SH2 Domain Based on Structure-Based In-Silico Screening
    摘要:
    Structure-based in-silico screening was carried out for the Syk C-terminal SH2 domain. Fragments that could interact with the pY or pY+1 pockets were selected by our in-silico screening. After tethering two fragments bound to these pockets, we have designed and synthesized new compounds that show favorable interaction with the pY+3 pocket. One such compound, having a cyclohexylmalonic acid moiety identified as a novel potent phosphotyrosyl mimetic, exhibited an affinity comparable to that of the monophosphorylated ligand peptide.
    DOI:
    10.1021/jm010313k
点击查看最新优质反应信息

文献信息

  • [EN] BENZIMIDAZOLE AND AZABENZIMIDAZOLE COMPOUNDS THAT INHIBIT ANAPLASTIC LYMPHOMA KINASE<br/>[FR] COMPOSÉS BENZIMIDAZOLE ET AZABENZIMIDAZOLE QUI INHIBENT LA KINASE DES LYMPHOMES ANAPLASIQUES
    申请人:AMGEN INC
    公开号:WO2012018668A1
    公开(公告)日:2012-02-09
    Compounds of Formula (I) are useful inhibitors of anaplastic lymphoma kinase. Compounds of Formula (I) have the following structure: where the definitions of the variables are provided herein.
    公式(I)的化合物是有用的间变性淋巴瘤激酶抑制剂。公式(I)的化合物具有以下结构:其中变量的定义如下。
  • [EN] SSTR5 ANTAGONISTS<br/>[FR] ANTAGONISTES DE SSTR5
    申请人:KALLYOPE INC
    公开号:WO2021113368A1
    公开(公告)日:2021-06-10
    This disclosure is directed, at least in part, to SSTR5 antagonists useful for the treatment of conditions or disorders involving the gut-brain axis. In some embodiments, the SSTR5 antagonists are gut-restricted compounds. In some embodiments, the condition or disorder is a metabolic disorder, such as diabetes, obesity, nonalcoholic steatohepatitis (NASH), or a nutritional disorder such as short bowel syndrome.
    这项披露至少部分针对SSTR5拮抗剂,用于治疗涉及肠脑轴的疾病或疾病。在某些实施例中,SSTR5拮抗剂是肠限制性化合物。在某些实施例中,该疾病或疾病是代谢性疾病,如糖尿病、肥胖症、非酒精性脂肪肝炎(NASH)或营养紊乱,如短肠综合征。
  • [EN] ARYL SULPHONE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS<br/>[FR] DÉRIVÉS D'ARYL SULFONES COMME BLOQUEURS DES CANAUX CALCIQUES
    申请人:ZALICUS PHARMACEUTICALS LTD
    公开号:WO2011035159A1
    公开(公告)日:2011-03-24
    Methods and compounds effective in ameliorating conditions characterized by unwanted calcium channel activity, particularly unwanted N-type and/or T-type calcium channel activity, are disclosed. Specifically, a series of compounds containing aryl sulphone derivatives, as exemplified by Formula (I).
    揭示了在改善以不需要的钙通道活性为特征的情况下有效的方法和化合物,特别是不需要的N型和/或T型钙通道活性。具体来说,包含芳基磺酰基衍生物的一系列化合物被列举为示例,如公式(I)所示。
  • Process for producing 3-acylaminobenzofuran-2-carboxylic acid derivative
    申请人:Seki Masahiko
    公开号:US20060173188A1
    公开(公告)日:2006-08-03
    The present invention provides a process of preparing a compound of the formula [I]: wherein X is a group of the formula: —N═ or —CH═; R 1 is a hydrogen atom, a halogen atom, a lower alkyl group, a lower alkoxy group, a cyano group or an amino group optionally substituted by a lower alkyl group; Ring A is a nitrogen-containing heterocyclic group; Ring B is an optionally substituted benzene ring or an optionally substituted pyridine ring; and R 3 is a hydrogen atom or a lower alkyl group, or a pharmaceutically acceptable salt thereof, which is useful as an inhibitor of activated blood coagulation factor X.
    本发明提供了一种制备式[I]化合物的方法:其中X是公式:—N═或—CH═ 的基团;R1是氢原子、卤素原子、低烷基、低烷氧基、氰基或者是可选择被低烷基取代的氨基基团;环A是含有氮杂环基团;环B是可选择被取代的苯环或者是可选择被取代的吡啶环;R3是氢原子或者是低烷基,或者其药学上可接受的盐,该化合物是一种活化血凝因子X抑制剂。
  • PROCESS FOR PREPARING 3-ACYLAMINOBENZOFURAN-2-CARBOXYLIC ACID DERIVATIVE
    申请人:SEKI Masahiko
    公开号:US20090023918A1
    公开(公告)日:2009-01-22
    The present invention provides a process of preparing a compound of the formula [I]: wherein X is a group of the formula: —N═ or —CH═; R 1 is a hydrogen atom, a halogen atom, a lower alkyl group, a lower alkoxy group, a cyano group or an amino group optionally substituted by a lower alkyl group; Ring A is a nitrogen-containing heterocyclic group; Ring B is an optionally substituted benzene ring or an optionally substituted pyridine ring; and R 3 is a hydrogen atom or a lower alkyl group, or a pharmaceutically acceptable salt thereof, which is useful as an inhibitor of activated blood coagulation factor X.
    本发明提供了一种制备式[I]化合物的方法:其中X是公式:—N═或—CH═的基团;R1是氢原子、卤素原子、低碳基、低烷氧基、氰基或者是经低碳基取代的氨基基团;环A是含氮杂环基团;环B是可选取代的苯环或者是可选取代的吡啶环;R3是氢原子或者是低碳基,或者是其药学上可接受的盐,其可用作活化的血凝因子X的抑制剂。
查看更多

同类化合物

(甲基3-(二甲基氨基)-2-苯基-2H-azirene-2-羧酸乙酯) (±)-盐酸氯吡格雷 (±)-丙酰肉碱氯化物 (d(CH2)51,Tyr(Me)2,Arg8)-血管加压素 (S)-(+)-α-氨基-4-羧基-2-甲基苯乙酸 (S)-阿拉考特盐酸盐 (S)-赖诺普利-d5钠 (S)-2-氨基-5-氧代己酸,氢溴酸盐 (S)-2-[3-[(1R,2R)-2-(二丙基氨基)环己基]硫脲基]-N-异丙基-3,3-二甲基丁酰胺 (S)-1-(4-氨基氧基乙酰胺基苄基)乙二胺四乙酸 (S)-1-[N-[3-苯基-1-[(苯基甲氧基)羰基]丙基]-L-丙氨酰基]-L-脯氨酸 (R)-乙基N-甲酰基-N-(1-苯乙基)甘氨酸 (R)-丙酰肉碱-d3氯化物 (R)-4-N-Cbz-哌嗪-2-甲酸甲酯 (R)-3-氨基-2-苄基丙酸盐酸盐 (R)-1-(3-溴-2-甲基-1-氧丙基)-L-脯氨酸 (N-[(苄氧基)羰基]丙氨酰-N〜5〜-(diaminomethylidene)鸟氨酸) (6-氯-2-吲哚基甲基)乙酰氨基丙二酸二乙酯 (4R)-N-亚硝基噻唑烷-4-羧酸 (3R)-1-噻-4-氮杂螺[4.4]壬烷-3-羧酸 (3-硝基-1H-1,2,4-三唑-1-基)乙酸乙酯 (2S,3S,5S)-2-氨基-3-羟基-1,6-二苯己烷-5-N-氨基甲酰基-L-缬氨酸 (2S,3S)-3-((S)-1-((1-(4-氟苯基)-1H-1,2,3-三唑-4-基)-甲基氨基)-1-氧-3-(噻唑-4-基)丙-2-基氨基甲酰基)-环氧乙烷-2-羧酸 (2S)-2,6-二氨基-N-[4-(5-氟-1,3-苯并噻唑-2-基)-2-甲基苯基]己酰胺二盐酸盐 (2S)-2-氨基-3-甲基-N-2-吡啶基丁酰胺 (2S)-2-氨基-3,3-二甲基-N-(苯基甲基)丁酰胺, (2S,4R)-1-((S)-2-氨基-3,3-二甲基丁酰基)-4-羟基-N-(4-(4-甲基噻唑-5-基)苄基)吡咯烷-2-甲酰胺盐酸盐 (2R,3'S)苯那普利叔丁基酯d5 (2R)-2-氨基-3,3-二甲基-N-(苯甲基)丁酰胺 (2-氯丙烯基)草酰氯 (1S,3S,5S)-2-Boc-2-氮杂双环[3.1.0]己烷-3-羧酸 (1R,4R,5S,6R)-4-氨基-2-氧杂双环[3.1.0]己烷-4,6-二羧酸 齐特巴坦 齐德巴坦钠盐 齐墩果-12-烯-28-酸,2,3-二羟基-,苯基甲基酯,(2a,3a)- 齐墩果-12-烯-28-酸,2,3-二羟基-,羧基甲基酯,(2a,3b)-(9CI) 黄酮-8-乙酸二甲氨基乙基酯 黄荧菌素 黄体生成激素释放激素 (1-5) 酰肼 黄体瑞林 麦醇溶蛋白 麦角硫因 麦芽聚糖六乙酸酯 麦根酸 麦撒奎 鹅膏氨酸 鹅膏氨酸 鸦胆子酸A甲酯 鸦胆子酸A 鸟氨酸缩合物