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N-(1-萘基)乙烯二胺草酸酯 | 125943-35-3

中文名称
N-(1-萘基)乙烯二胺草酸酯
中文别名
——
英文名称
1-isopropyl-3,3-dimethylpiperidine
英文别名
3,3-Dimethyl-1-propan-2-ylpiperidine
N-(1-萘基)乙烯二胺草酸酯化学式
CAS
125943-35-3
化学式
C10H21N
mdl
——
分子量
155.283
InChiKey
BNCCBNNWBGUGCH-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):
    2.7
  • 重原子数:
    11
  • 可旋转键数:
    1
  • 环数:
    1.0
  • sp3杂化的碳原子比例:
    1.0
  • 拓扑面积:
    3.2
  • 氢给体数:
    0
  • 氢受体数:
    1

反应信息

  • 作为产物:
    描述:
    5-chloro-2,2-dimethyl-N-propan-2-ylpentan-1-imine 在 lithium aluminium tetrahydride 作用下, 以 甲醇乙醚 为溶剂, 反应 25.0h, 生成 N-(1-萘基)乙烯二胺草酸酯
    参考文献:
    名称:
    由δ-氯亚胺制备哌啶
    摘要:
    δ-氯亚胺与各种亲核试剂如金属氢化物,氰化钾,醇和醇盐的反应分别产生了哌啶,2-氰基哌啶和2-烷氧基哌啶。这些哌啶是通过在碳氮双键上添加亲核试剂,然后进行分子内亲核取代而形成的。
    DOI:
    10.1016/s0040-4020(01)89250-4
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文献信息

  • MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF
    申请人:Weinstein David S.
    公开号:US20090075995A1
    公开(公告)日:2009-03-19
    Novel non-steroidal compounds are provided which are useful in treating diseases associated with modulation of the glucocorticoid receptor, AP-1, and/or NF-κB activity, including inflammatory and immune diseases, having the structure of formula (I): an enantiomer, diastereomer, or tautomer thereof, or a prodrug ester thereof, or a pharmaceutically-acceptable salt thereof, in which: Z is heterocyclo or heteroaryl; A is a 5- to 8-membered carbocyclic ring or a 5- to 8-membered heterocyclic ring; B is a cycloalkyl, cycloalkenyl, aryl, heterocyclo, or heteroaryl ring, wherein each ring is fused to the A ring on adjacent atoms and optionally substituted by one to four groups which are the same or different and are independently selected from R 5 , R 6 , R 7 , and R 8 ; J 1 , J 2 , and J 3 are at each occurrence the same or different and are independently -A 1 QA 2 -; Q is a bond, O, S, S(O), or S(O) 2 ; A 1 and A 2 are the same or different and are at each occurrence independently selected from a bond, C 1-3 alkylene, substituted C 1-3 alkylene, C 2-4 alkenylene, and substituted C 2-4 alkenylene, provided that A 1 and A 2 are chosen so that ring A is a 5- to 8-membered carbocyclic or heterocyclic ring; R 1 to R 11 are as defined herein. Also provided are pharmaceutical compositions and methods of treating inflammatory- or immune-associated diseases and obesity and diabetes employing said compounds.
    提供了一系列新颖的非甾体化合物,这些化合物在治疗与糖皮质激素受体、AP-1和/或NF-κB活性调节相关的疾病中很有用,包括炎性和免疫疾病,具有以下结构式(I): 其对应的光学异构体、对映异构体或互变异构体,或其前药酯,或其药用可接受盐,其中: Z是杂环或杂芳基; A是一个5至8成员的碳环或一个5至8成员的杂环; B是一个环烷基、环烯基、芳基、杂环或杂芳基环,其中每个环都与A环上的相邻原子融合,并且可以选择性地被一个到四个独立选自R5、R6、R7和R8的相同或不同的组取代; J1、J2和J3每次出现时相同或不同,独立地选自-A1QA2-;Q是键、O、S、S(O)或S(O)2;A1和A2相同或不同,每次出现时独立地选自键、C1-3烷基、取代的C1-3烷基、C2-4烯基和取代的C2-4烯基,前提是A1和A2的选择使得环A是一个5至8成员的碳环或杂环; R1至R11如本文所述定义。 还提供了使用这些化合物的药物组合物和治疗炎性疾病、免疫相关疾病、肥胖和糖尿病的方法。
  • [EN] NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS<br/>[FR] COMPOSÉS AZOTÉS HÉTÉROCYCLIQUES CONVENANT COMME INHIBITEURS DE LA PDE10
    申请人:AMGEN INC
    公开号:WO2011143365A1
    公开(公告)日:2011-11-17
    Unsaturated nitrogen heterocyclic compounds of formula (I): (I), as defined in the specification, compositions containing them, and processes for preparing such compounds. Provided herein also are methods of treating disorders or diseases treatable by inhibition of PDE10, such as obesity, Huntington's Disease, non-insulin dependent diabetes, schizophrenia, bipolar disorder, obsessive-compulsive disorder, and the like.
    式(I)的不饱和氮杂环化合物:(I),如规范中定义的,含有它们的组合物,以及制备这种化合物的方法。本文还提供了通过抑制PDE10治疗可治疗的疾病或疾病的方法,如肥胖症、亨廷顿病、非胰岛素依赖型糖尿病、精神分裂症、躁郁症、强迫症等。
  • [EN] BENZAMIDE AND NICOTINAMIDE COMPOUNDS AND METHODS OF USING SAME<br/>[FR] BENZAMIDE ET COMPOSÉS DE NICOTINAMIDE ET LEURS PROCÉDÉS D'UTILISATION
    申请人:ONCOTARTIS INC
    公开号:WO2015100322A1
    公开(公告)日:2015-07-02
    The present disclosure provides benzamide and nicotinamide compounds and pharmaceutical uses of the compounds. The compounds can be used to treat, for example, cancers such hematopoietic cancers (e.g., leukemia). The preferred compounds of the invention contain a phenylethynyl moiety as well as an amine-based heterocyclyl or heteroaryl moiety attached to the benzamide or nicotinamide compound.
    本公开提供苯甲酰胺和烟酰胺化合物以及这些化合物的药用。这些化合物可用于治疗,例如,血液肿瘤等血液肿瘤(如白血病)。本发明的优选化合物包含苯乙炔基团以及连接到苯甲酰胺或烟酰胺化合物的胺基杂环基团或杂芳基团。
  • [EN] SUBSTITUTED PYRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS RET KINASE INHIBITORS<br/>[FR] COMPOSÉS DE PYRAZOLO[1,5-A]PYRAZINE SUBSTITUÉS UTILISÉS EN TANT QU'INHIBITEURS DE LA KINASE RET
    申请人:ANDREWS STEVEN W
    公开号:WO2018136661A1
    公开(公告)日:2018-07-26
    Provided herein are compounds of the Formula I: and stereoisomers and pharmaceutically acceptable salts or solvates thereof, in which A, B, D, E, X1, X2, X3 and X4 have the meanings given in the specification, which are inhibitors of RET kinase and are useful in the treatment and prevention of diseases which can be treated with a RET kinase inhibitor, including diseases or disorders mediated by a RET kinase.
    本文提供了Formula I的化合物及其立体异构体和药学上可接受的盐或溶剂,其中A、B、D、E、X1、X2、X3和X4在规范中给出的含义,这些化合物是RET激酶的抑制剂,可用于治疗和预防可以用RET激酶抑制剂治疗的疾病,包括由RET激酶介导的疾病或紊乱。
  • [EN] INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE<br/>[FR] INHIBITEURS DE L'INDOLÉAMINE 2,3-DIOXYGÉNASE ET LEURS PROCÉDÉS D'UTILISATION
    申请人:BRISTOL MYERS SQUIBB CO
    公开号:WO2020023355A1
    公开(公告)日:2020-01-30
    The present invention provides compounds of formula (I): wherein all of the variables are as defined herein. These compounds are inhibitors of indoleamine 2,3-dioxygenase (IDO), which may be used as medicaments for the treatment of proliferative disorders, such as cancer, viral infections and/or autoimmune diseases.
    本发明提供了以下化合物(I)的公式:其中所有变量如本文所定义。这些化合物是色氨酸2,3-二氧化酶(IDO)的抑制剂,可用作治疗增殖性疾病,如癌症、病毒感染和/或自身免疫疾病的药物。
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表征谱图

  • 氢谱
    1HNMR
  • 质谱
    MS
  • 碳谱
    13CNMR
  • 红外
    IR
  • 拉曼
    Raman
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cnmr
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  • 峰位数据
  • 峰位匹配
  • 表征信息
Shift(ppm)
Intensity
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Assign
Shift(ppm)
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测试频率
样品用量
溶剂
溶剂用量
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