2-methoxy-N-methylcyclohexan-1-amine | 1157239-31-0

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 2-methoxy-N-methylcyclohexan-1-amine
• CAS: 1157239-31-0
• 化学式: C₈H₁₇NO
• 分子量: 143.229
• InChiKey: VTHIZWRFGSXXAA-UHFFFAOYSA-N

物化性质

• 沸点：
  189.7±33.0 °C(Predicted)
• 密度：
  0.90±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  2-methoxy-N-methylcyclohexan-1-amine 、 4-氯吡咯并嘧啶 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 叔丁醇 为溶剂， 生成 N-(2-methoxycyclohexyl)-N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
  参考文献：
  名称：

  Discovery of CP-690,550: A Potent and Selective Janus Kinase (JAK) Inhibitor for the Treatment of Autoimmune Diseases and Organ Transplant Rejection

  摘要：

  There is a critical need for safer and more convenient treatments for organ transplant rejection and autoimmune disorders such as rheumatoid arthritis. Janus tyrosine kinases (JAK1, JAK3) are expressed in lymphoid cells and are involved in the signaling of multiple cytokines important for various T cell functions. Blockade of the JAK1/JAK3-STAT pathway with a small molecule was anticipated to provide therapeutic immunosuppression/immunomodulation. The Pfizer compound library was screened against the catalytic domain of JAK3 resulting in the identification of a pyrrolopyrimidine-based series of inhibitors represented by CP-352,664 (2a). Synthetic analogues of 2a were screened against the JAK enzymes and evaluated in an IL-2 induced T cell blast proliferation assay. Select compounds were evaluated in rodent efficacy models of allograft rejection and destructive inflammatory arthritis. Optimization within this chemical series led to identification of CP-690,550 1, a potential first-in-class JAK inhibitor for treatment of autoimmune diseases and organ transplant rejection.

  DOI：

  10.1021/jm1004286
• 作为产物：
  描述：

  2-甲氧基环己酮 、 甲胺 在 NADPH dependentimine reductase 作用下， 反应 22.0h， 生成 2-methoxy-N-methylcyclohexan-1-amine
  参考文献：
  名称：

  亚胺还原酶催化的酮的不对称还原胺化

  摘要：

  使用亚胺还原酶的生物催化是一种从酮一步生成手性胺的有前途的方法。报道的用于该过程的酶具有低活性和适度的立体选择性。我们从28种亚胺还原酶的文库中鉴定出一组酶，可促进该反应的高转化率到定量转化率。这使得酮与氨，甲胺或丁胺的转化成为相应的胺。最重要的是，我们进行了制备性（> 100 mg）规模的胺合成，例如（1 S，3 R）-N，3-二甲基环己胺和（R）-N-甲基-2-氨基己烷，具有优异的立体化学纯度（98％  de，96％  ee），收益率很高。

  DOI：

  10.1002/cctc.201600384

文献信息

• Photochromic Indeno-Fused Ring Pyran Compounds
  申请人：Transitions Optical, Inc.

  公开号：US20150141661A1

  公开（公告）日：2015-05-21

  The present invention relates to photochromic indeno-fused ring pyran compounds represented by the following Formula (I-A): The present invention also relates to photochromic dichroic compounds, such as represented by Formula (I-A), in which (i) Z 2 is a group N—R 13 in which R 13 is a group L, and (ii) optionally at least one R 1 independently for each n is selected from a group L, in which the group L independently in each case is a lengthening group that provides the photochromic compound with dichroic properties, in accordance with some embodiments. The present invention also relates to photochromic articles, such as photochromic ophthalmic articles, that include one or more photochromic compounds according to the present invention, such as represented by Formula (I-A).

  本发明涉及由以下式（I-A）表示的光致变色吲哚融合环吡喃化合物。本发明还涉及光致二向色化合物，例如由式（I-A）表示，其中（i）Z2是一个N—R13基团，其中R13是一个L基团，以及（ii）对于每个n，可选地至少选择一个R1，每种情况下独立选择自L基团，其中每种情况下L基团是一个提供光致化合物二向色性能的延伸基团，符合某些实施例。本发明还涉及光致物品，例如光致眼科物品，包括根据本发明的一个或多个光致化合物，例如由式（I-A）表示。
• Benzene, Pyridine, and Pyridazine Derivatives
  申请人：Huang Kenneth He

  公开号：US20080119457A1

  公开（公告）日：2008-05-22

  Disclosed are compounds and pharmaceutically acceptable salts of Formula I wherein A, Q 1 , Q 2 , Q 3 , R 31 , and R 41 are as defined herein. Compounds of Formula I are useful in the treatment of diseases and/or conditions related to cell proliferation, such as cancer, inflammation, arthritis, angiogenesis, or the like. Also disclosed are pharmaceutical compositions comprising compounds of the invention and methods of treating the aforementioned conditions using such compounds.

  公开了公式I的化合物和药用盐，其中A、Q1、Q2、Q3、R31和R41如本文所定义。公式I的化合物在治疗与细胞增殖相关的疾病和/或病况方面具有用途，如癌症、炎症、关节炎、血管生成等。还公开了包括本发明化合物的药物组合物以及使用这些化合物治疗上述病况的方法。
• PHOTOCHROMIC MATERIALS THAT INCLUDE 6-AMINO SUBSTITUTED INDENO-FUSED NAPHTHOPYRANS
  申请人：Chopra Anu

  公开号：US20120053341A1

  公开（公告）日：2012-03-01

  The present invention relates to photochromic materials that include certain indeno-fused naphthopyrans. The indeno-fused naphthopyrans have an amino group (e.g., a piperidino or morpholino group) bonded to the 6-position and an optional halo group (e.g., fluoro) bonded to the 11-position thereof. The photochromic materials of the present invention may have a closed-form electromagnetic radiation absorption spectrum that is shifted to longer wavelengths (e.g., wavelengths of greater than 390 nm), relative to comparable photochromic materials. The present invention also relates to optical elements, such as eyeglasses, that include the photochromic materials of the present invention.

  本发明涉及包括某些吲哚并螺[3,3,3]己喹喙的光致变色材料。这些吲哚并螺[3,3,3]己喹喙在6位与氨基团（例如哌啶基或吗啉基）键合，并且在11位可能与卤素基团（例如氟基）键合。本发明的光致变色材料可能具有闭合形式的电磁辐射吸收光谱，其相对于类似的光致变色材料向更长波长（例如大于390纳米的波长）移动。本发明还涉及包括本发明的光致变色材料的光学元件，例如眼镜。
• METHOD OF MAKING INDENO-FUSED NAPHTHOL MATERIALS
  申请人：Chopra Anu

  公开号：US20120157696A1

  公开（公告）日：2012-06-21

  The present invention relates to a method of making indeno-fused naphthol materials, that involves, with some embodiments, forming an indanone acid intermediate, which can be represented by the following general Formula V, With Formula V, m is from 0 to 4, and R 1 for each m, R g and R h can each be independently selected from, for example, hydrogen and hydrocarbyl. The present invention also relates to a method of making an indeno-fused naphthopyran that involves an indanone acid intermediate synthetic route.

  本发明涉及一种制备茚并萘酚材料的方法，其中在某些实施例中，涉及形成一种茚酮酸中间体，该中间体可以用以下一般式V表示，式中，m取值范围为0至4，对于每个m，Rg和Rh可以分别独立地选择为氢和烃基。本发明还涉及一种制备茚并萘吡喃的方法，该方法涉及一种茚酮酸中间体的合成路线。
• PHOTOCHROMIC MATERIALS DEMONSTRATING IMPROVED FADE RATES
  申请人：Chopra Anu

  公开号：US20080103301A1

  公开（公告）日：2008-05-01

  Various photochromic materials are provided that are essentially free of polymerizable unsaturated groups, and comprise: a) an indeno[2′,3′:3,4]naphtho[1,2-b]pyran; and b) an electron-withdrawing, non-conjugating group bonded at the 11-position of the indeno[2′,3′:3,4]naphtho[1,2-b]pyran. Alternative embodiments include various substituents at other positions of the indeno[2′,3′:3,4]naphtho[1,2-b]pyran. Also provided are photochromic articles including a substrate and one of the above photochromic materials, in contact with at least a portion of the substrate.

  提供了各种基本不含聚合不饱和基团的光致变色材料，包括：a) 一种吲哚并[2′,3′:3,4]萘并[1,2-b]吡喃；和b) 与吲哚并[2′,3′:3,4]萘并[1,2-b]吡喃的11位结合的电子吸引、非共轭基团。替代实施例包括吲哚并[2′,3′:3,4]萘并[1,2-b]吡喃的其他位置的各种取代基。还提供了包括基板和上述光致变色材料之一的光致变色物品，与基板的至少一部分接触。