N,N-二甲基-2-氨基茚满 | 51864-45-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 茚满类
• 中文名称: N,N-二甲基-2-氨基茚满
• 中文别名: 2-异丙基-3-甲基丁酰苯
• 英文名称: N,N-dimethyl-2,3-dihydro-1H-inden-2-amine
• 英文别名: N,N-dimethyl-2-indanamine；NN-Dimethyl-2-aminoindane；2-Dimethylamino-indan；2-Dimethylaminoindan；N,N-Dimethyl-2-aminoindane
• CAS: 51864-45-0
• 化学式: C₁₁H₁₅N
• mdl: MFCD12197761
• 分子量: 161.247
• InChiKey: JHJKWSLLPQWCDF-UHFFFAOYSA-N

物化性质

• 沸点：
  130-131 °C(Press: 20 Torr)
• 密度：
  1.00±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  12
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.45
• 拓扑面积：
  3.2
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 海关编码：
  2921499090

反应信息

• 作为反应物：
  描述：

  N,N-二甲基-2-氨基茚满 在 硝酸 、 三氟乙酸 作用下， 以 水 为溶剂， 反应 48.0h， 生成 N,N-dimethyl-5-nitro-2,3-dihydro-1H-inden-2-amine
  参考文献：
  名称：

  Tricyclic [1,2,4]Triazine 1,4-Dioxides As Hypoxia Selective Cytotoxins

  摘要：

  A series of novel tricyclic triazine-di-N-oxides (TTOs) related to tirapazamine have been designed and prepared. A wide range of structural arrangements with cycloalkyl, oxygen-, and nitrogen-containing Saturated rings fused to the triazine core, coupled with various side chains linked to either hemisphere, resulted in TTO analogues that displayed hypoxia-selective cytotoxicity in vitro. Optimal rates of hypoxic metabolism and tissue diffusion coefficients were achieved with fused cycloalkyl rings in combination with both the 3-aminoalkyl or 3-alkyl substituents linked to weakly basic soluble amines. The selection was further refined 7 using pharmacokinetic/phamacodynamic model predictions of the in vivo hypoxic potency (AUC(req)) and selectivity (HCD) with 12 TTO analogues predicted to be active in Vivo, Subject to the achievement of adequate plasma pharmacokinetics.

  DOI：

  10.1021/jm800967h
• 作为产物：
  描述：

  2-茚醇 在 N,N-二异丙基乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 N,N-二甲基-2-氨基茚满
  参考文献：
  名称：

  WO2006/104406

  摘要：

  公开号：

文献信息

• Lewis Acid-Catalyzed Reductive Amination of Aldehydes and Ketones with <i>N</i> ,<i>N</i> -Dimethylformamide as Dimethylamino Source, Reductant and Solvent
  作者：Luo Yang、Jie Lin、Lei Kang、Wang Zhou、Da-You Ma

  DOI：10.1002/adsc.201701221

  日期：2018.2.1

  A practical zinc acetate dihydrate‐catalyzed reductive amination of various carbonyl compounds with N,N‐dimethylformamide (DMF) as dimethylamino (Me2N) source, reductant and solvent has been developed. This reaction shows broad substrate scope, good functional group tolerance, avoids the need for a pressure‐proof reactor and column chromatographic isolation operations and gives up to 98% yield, to

  已经开发了一种实用的乙酸锌二水合物催化的羰基化合物以N，N-二甲基甲酰胺（DMF）作为二甲基氨基（Me 2 N）来源，还原剂和溶剂的还原胺化方法。该反应显示出广泛的底物范围，良好的官能团耐受性，无需耐压反应器和色谱柱色谱分离操作，且收率高达98％，使其成为制备N，N-二甲基叔胺的有吸引力的方法。
• Comparison of biological effects of N-alkylated congeners of .beta.-phenethylamine derived from 2-aminotetralin, 2-aminoindan, and 6-aminobenzocycloheptene
  作者：Joseph G. Cannon、Julio A. Perez、Jonathan P. Pease、John Paul Long、Jan R. Flynn、David B. Rusterholz、Stuart E. Dryer

  DOI：10.1021/jm00181a009

  日期：1980.7

  semirigid congeners of beta-phenethylamine have been prepared for evaluation of the effect of ring size (and of concomitant conformational variation) on biological activity in a variety of assays for adrenergic and dopaminergic actions. Pharmacologic activity was associated with 2-aminotetralin and 2-aminoindan derivateves, but was not found with 6-aminobenzocycloheptene derivatives. Noteworthy is the

  已经准备了三个系列的β-苯乙胺双环，半刚性同源物，用于评估在各种肾上腺素能和多巴胺能作用的测定中环大小（以及伴随的构象变化）对生物活性的影响。药理活性与2-氨基四氢萘和2-氨基茚满衍生物有关，但与6-氨基苯并环庚烯衍生物未发现。值得注意的是几种氨基四氢化萘和氨基茚满在不引起多巴胺能作用的情况下增加热板反应时间的能力。纳洛酮预处理不阻止该作用。
• Tricyclic 1,2,4-triazine oxides and compositions for therapeutic use in cancer treatments
  申请人：Auckland Uniservices Limited

  公开号：US07989451B2

  公开（公告）日：2011-08-02

  The invention relates to novel tricyclic 1,2,4-triazine-1-oxides and novel tricyclic 1,2,4-triazine-1,4-dioxides of formula I and to related analogues, to their preparation, and to their use as hypoxia-selective drugs and radiosensitizers for cancer therapy, both alone or in combination with radiation and/or other anticancer drugs.

  本发明涉及新型三环1,2,4-三嗪-1-氧化物和新型三环1,2,4-三嗪-1,4-二氧化物的公式I以及相关类似物，涉及它们的制备，以及它们作为缺氧选择性药物和放射增敏剂用于癌症治疗，无论是单独使用还是与放射治疗和/或其他抗癌药物联合使用。
• Tricyclic 1,2,4-Triazine Oxides and Compositions for Therapeutic Use in Cancer Treatments
  申请人：Hay Michael Patrick

  公开号：US20090186886A1

  公开（公告）日：2009-07-23

  The invention relates to novel tricyclic 1,2,4-triazine-1-oxides and novel tricyclic 1,2,4-triazine-1,4-dioxides of formula I and to related analogues, to their preparation, and to their use as hypoxia-selective drugs and radiosensitizers for cancer therapy, both alone or in combination with radiation and/or other anticancer drugs.

  本发明涉及新型三环1,2,4-三嗪-1-氧化物和新型三环1,2,4-三嗪-1,4-二氧化物的公式I以及相关类似物，它们的制备以及它们作为低氧选择性药物和放射增敏剂用于癌症治疗，可以单独使用或与放射线和/或其他抗癌药物联合使用。
• CINNAMIDE COMPOUND
  申请人：Eisai R&D Management Co., Ltd.

  公开号：EP1757591A1

  公开（公告）日：2007-02-28

  The present invention relates to a compound represented by Formula (I): (wherein Ar1 represents an imidazolyl group which may be substituted with 1 to 3 substituents; Ar2 represents a pyridinyl group, a pyrimidinyl group, or a phenyl group which may be substituted with 1 to 3 substituents; X1 represents (1) -C≡C- or (2) a double bond etc. which may be substituted; R1 and R2 represent, for example, a C1-6 alkyl group or C3-8 cycloalkyl group which may be substituted) or a pharmacologically acceptable salt thereof and to the use thereof as pharmaceutical agents.

  本发明涉及一种由式（I）表示的化合物： (其中Ar1代表可被1至3个取代基取代的咪唑基；Ar2代表可被1至3个取代基取代的吡啶基、嘧啶基或苯基；X1代表(1)-C≡C-或(2)可被取代的双键等；R1和R2代表例如可被取代的C1-6烷基或C3-8环烷基）或其药理学上可接受的盐，以及其作为药剂的用途。