6-甲氧基-5-甲基-1-四酮 | 15159-14-5

• 分子结构分类: 有机化合物 - 苯类化合物 - 四氢化萘
• 中文名称: 6-甲氧基-5-甲基-1-四酮
• 英文名称: 6-methoxy-5-methyl-3,4-dihydro-1(2H)naphthalenone
• 英文别名: 6-methoxy-5-methyl-α-tetralone；6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-one；6-Methoxy-5-methyl-3,4-dihydro-2H-naphthalin-1-on；6-Methoxy-1-oxo-5-methyl-tetralin；5-Methyl-6-methoxy-α-tetralon；6-Methoxy-5-methyl-tetralon-(1)；6-methoxy-5-methyl-3,4-dihydro-2H-naphthalen-1-one
• CAS: 15159-14-5
• 化学式: C₁₂H₁₄O₂
• 分子量: 190.242
• InChiKey: AFKLJBSAUUJPPS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

安全信息

• 危险性防范说明：
  P264,P270,P273,P301+P312,P330,P391,P501
• 危险性描述：
  H302,H411

反应信息

• 作为反应物：
  描述：

  6-甲氧基-5-甲基-1-四酮 在 sulfur 作用下， 生成 2,5-二甲氧基-1-甲基萘
  参考文献：
  名称：

  Effects of Surface Application of MSW Compost On Cotton Production – Soil Properties, Plant Responses, And Nematode Management

  摘要：

  DOI：

  10.1080/1065657x.2002.10702089
• 作为产物：
  描述：

  1-甲基萘-2-醇 在 chromium(VI) oxide 、 sodium hydroxide 、 乙醇 、 镍 、 溶剂黄146 作用下， 80.0~110.0 ℃ 、9.81 MPa 条件下， 生成 6-甲氧基-5-甲基-1-四酮
  参考文献：
  名称：

  Experimental laser destruction of trigeminal sensory root

  摘要：

  The possibility of local laser destruction of the trigeminal sensory root by a puncture technique is demonstrated. A fibrous scar was formed on a limited area of the trigeminal root. There were no signs of axonal regeneration, posttraumatic neuroma, or considerable changes in the Meekel sinus.

  DOI：

  10.1007/bf02434888

文献信息

• Pyrimidine Derivatives As HSP90 Inhibitors
  申请人：Chessari Gianni

  公开号：US20090215777A1

  公开（公告）日：2009-08-27

  The invention provides a compound for use as an inhibitor of Hsp90, the compound having the formula (I): or salts, tautomers, solvates or N-oxides thereof; wherein: A is N or a group CR 3 ; R 1 is a monocyclic or bicyclic carbocyclic or heterocyclic ring of 5 to 10 ring members of which up to two ring members may be heteroatoms selected from N, O and S and the remainder are carbon atoms, the carbocyclic or heterocyclic ring being optionally substituted by one or more substituent groups independently selected from R 10 ; and R 2 , R 3 and R 10 are as defined in the claims.

  该发明提供了一种化合物，用作Hsp90的抑制剂，该化合物具有以下式（I）：或其盐、互变异构体、溶剂合物或N-氧化物；其中：A为N或CR基团；R1为由5至10个环成员组成的单环或双环碳环或杂环，其中最多两个环成员可以是从N、O和S中选择的杂原子，其余为碳原子，碳环或杂环可以选择地被一个或多个取代基独立地选择自R10的取代基取代；而R2、R3和R10如权利要求中所定义。
• Discovery of a 1-Methyl-3,4-dihydronaphthalene-Based Sphingosine-1-Phosphate (S1P) Receptor Agonist Ceralifimod (ONO-4641). A S1P₁ and S1P₅ Selective Agonist for the Treatment of Autoimmune Diseases
  作者：Haruto Kurata、Kensuke Kusumi、Kazuhiro Otsuki、Ryo Suzuki、Masakuni Kurono、Takaki Komiya、Hiroshi Hagiya、Hirotaka Mizuno、Hiroki Shioya、Takeji Ono、Yuka Takada、Tatsuo Maeda、Norikazu Matsunaga、Tetsu Kondo、Sachiko Tominaga、Ken-ici Nunoya、Hidekazu Kiyoshi、Masaharu Komeno、Shinji Nakade、Hiromu Habashita

  DOI：10.1021/acs.jmedchem.7b00785

  日期：2017.12.14

  lic acid 13n (ceralifimod, ONO-4641), a sphingosine-1-phosphate (S1P) receptor agonist selective for S1P1 and S1P5, is described. While it has been revealed that the modulation of the S1P1 receptor is an effective way to treat autoimmune diseases such as relapsing–remitting multiple sclerosis (RRMS), it was also reported that activation of the S1P3 receptor is implicated in some undesirable effects

  1-（6-[（2-甲氧基-4-丙基苄基）氧基] -1-甲基-3,4-二氢萘-2-基}甲基）氮杂环丁烷-3-羧酸13n（ceralifimod，ONO- （4641），描述了对S1P 1和S1P 5具有选择性的鞘氨醇-1-磷酸（S1P）受体激动剂。尽管已经发现调节S1P 1受体是治疗自身免疫性疾病（例如复发-缓解型多发性硬化症（RRMS））的有效方法，但也有报道称S1P 3受体的激活与某些不良作用有关。我们对命中化合物6进行了结构-活性关系（SAR）研究在亲水性头部区域具有氨基酸部分。在通过诱导构象约束力鉴定具有二氢萘中心核的先导化合物之后，亲脂性尾部区域的优化导致发现13n作为临床候选物，其对S1P 1的选择性比S1P 3高> 30 000倍，并且在小鼠外周淋巴细胞降低（PLL）测试（口服给药24小时后，ED 50 = 0.029 mg / kg）。
• Approaches to the Synthesis of Triterpenoids. II. Some Tetracyclic Precursors Suitable for Conversion into Pentacyclic Triterpenoids
  作者：J. W. ApSimon、P. Baker、J. Buccini、J. W. Hooper、S. Macaulay

  DOI：10.1139/v72-309

  日期：1972.6.15

  The stereoselective total synthesis of several partially reduced chrysene derivatives, suitable as precursors for a variety of triterpenoids, is described. The key reaction in the most efficient route involves the highly stereoselective reductive alkylation of a cyclic α,β-unsaturated ketone with allyl bromide in lithium–ammonia, using water as a proton donor.

  描述了几种部分还原的 chrysene 衍生物的立体选择性全合成，这些衍生物适合作为各种三萜类化合物的前体。最有效路线中的关键反应涉及使用水作为质子供体，在锂 - 氨中使用烯丙基溴对环状 α,β-不饱和酮进行高度立体选择性的还原烷基化。
• [EN] HISTONE DEMETHYLASE INHIBITORS<br/>[FR] INHIBITEURS DE L'HISTONE DÉMÉTHYLASE
  申请人：QUANTICEL PHARMACEUTICALS INC

  公开号：WO2015200709A1

  公开（公告）日：2015-12-30

  The present disclosure relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted pyridine derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition histone demethylase. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer and/or melanoma and the like.

  本公开涉及治疗癌症和肿瘤疾病的组合物和方法。本文提供了替代吡啶衍生物化合物和包含该化合物的制药组合物。该化合物和组合物对于抑制组蛋白去甲基化酶具有用途。此外，该化合物和组合物对于治疗癌症，例如前列腺癌、乳腺癌、膀胱癌、肺癌和/或黑色素瘤等具有用途。
• HISTONE DEMETHYLASE INHIBITORS
  申请人：CELGENE QUANTICEL RESEARCH, INC.

  公开号：US20160332970A1

  公开（公告）日：2016-11-17

  The present disclosure relates generally to compositions and methods for treating cancer and neoplastic disease. Provided herein are substituted pyridine derivative compounds and pharmaceutical compositions comprising said compounds. The subject compounds and compositions are useful for inhibition histone demethylase. Furthermore, the subject compounds and compositions are useful for the treatment of cancer, such as prostate cancer, breast cancer, bladder cancer, lung cancer and/or melanoma and the like.

  本公开涉及治疗癌症和肿瘤性疾病的组合物和方法。本文提供了取代吡啶衍生物化合物和包含该化合物的制药组合物。该化合物和组合物对于抑制组蛋白去甲基化酶具有用处。此外，该化合物和组合物对于治疗癌症，如前列腺癌、乳腺癌、膀胱癌、肺癌和/或黑色素瘤等具有用处。