15-methylhexadecanal | 93843-21-1

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 15-methylhexadecanal
• 英文别名: Isoheptadecan-1-al
• CAS: 93843-21-1
• 化学式: C₁₇H₃₄O
• 分子量: 254.456
• InChiKey: TWJWQMBBEAVIPZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.3
• 重原子数：
  18
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.94
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  15-methylhexadecanal 在 lithium hydroxide 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 14.0h， 生成 (E)-17-methyl-2-octadecenoic acid
  参考文献：
  名称：

  Enantioselective synthesis of (3R,4E)-19-methylicos-4-en-1-yn-3-ol, a bioactive metabolite of the marine sponge Cribrochalina vasculum

  摘要：

  The first stereoselective synthesis of (3R,4E)-19-methyiicos-4-en-1-yn-3-ol, an immunosuppressive and antitumoral metabolite isolated from the Caribbean sponge Cribrochalina vasculum, has been achieved and its stereostructure has been confirmed. The key step of the synthesis involves a borane-mediated reduction of the parent (E)-19-methyl-1-trimethylsilylicos-4-en-1-yn-3-one in the presence of a chiral oxazaborolidine. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0957-4166(99)00251-7
• 作为产物：
  描述：

  15-methylhexadecan-1,15-diol 在 三乙基硅烷 、 三氟化硼乙醚 、 pyridinium chlorochromate 作用下， 以 二氯甲烷 为溶剂， 反应 5.0h， 生成 15-methylhexadecanal
  参考文献：
  名称：

  立体化学，脂质长度和分支影响单酰基甘油酯的Mincle激动剂活性。

  摘要：

  在这里，我们报道了一系列对映体纯的线性，异支化和α支化单酰基甘油酯（MAGs）的合成，总收率为63-72％。探索了使用NFAT-GFP报告基因细胞通过人巨噬细胞诱导型C型凝集素（hMincle）发出信号的能力，以及化合物激活人单核细胞的能力。从这些研究中，人单核细胞的Mincle激活和白介素8（IL-8）的产生需要酰基链长度≥C22的MAG。此外，与线性MAG相比，异支MAG导致更明显的免疫反应，而含有C-32酰基链的α支MAG则比典型的Mincle激动剂海藻糖二山hen酸酯（TDB）活化细胞的程度更高。在整个复合类别中，sn的活动-1个取代的异构体大于sn -3对应的异构体。代表性化合物均无细胞毒性，因此可减轻细胞毒性，将其作为细胞活性的潜在介质。两者合计，6h（sn -1，iC26 + 1），8a（sn -1，C32）和8b（sn -3，C32）表现出最佳的免疫刺激特性，因此具有作为疫苗佐剂的潜力。

  DOI：

  10.1039/c9ob02302j

文献信息

• [EN] FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF<br/>[FR] DERIVES DE LA PYRIMIDIN-4(3H)-ONE A CYCLES FUSIONNES, SPN PROCEDE DE PREPARATION ET SES UTILISATIONS
  申请人：SANKYO CO

  公开号：WO2003106435A1

  公开（公告）日：2003-12-24

  AbstractNovel compounds of the following formula (I) and pharmacologically acceptable salt and esters thereof can modulate LXR function and as a result show excellent anti-arteriosclerotic and anti-inflammatory activity:wherein:A represents aryl or heteroaryl;R1, R2 and R3 are the same or different and each represents hydrogen, hydroxyl, nitro, cyano, amino, halogen, carboxy, carbamoyl, mercapto, alkyl, haloalkyl, alkylcarbonyloxy, alkoxy, alkylthio, alkylsulfinyl, alkylsulfonyl, alkylamino, dialkylamino, alkylcarbonylamino, N-(alkylcarbonyl)-N-(alkyl)amino, alkoxycarbonylamino, N-(alkoxycarbonyl)-N-(alkyl)amino, alkylsulfonylamino, N-(alkylsulfonyl)-N-(alkyl)amino, haloalkylsulfonylamino, N-(haloalkylsulfonyl)-N-(alkyl)amino, alkylcarbonyl, alkoxycarbonyl, alkylaminocarbonyl or dialkylaminocarbonyl group, or R1 and R2 together are alkylenedioxy;R4 and R5 are the same or different and each represents hydrogen, hydroxyl, amino, halogen, mercapto, alkyl, haloalkyl, alkoxy, alkoxycarbonyl or alkylthio;X represents hydrogen, hydroxyl, halogen, alkoxy or haloalkoxy; andY represents an optionally substituted alkyl, cycloalkyl, heterocyclyl, aryl, cycloalkylalkyl, heterocyclylalkyl or aralkyl group.

  新化合物具有以下式（I）的结构，其药学上可接受的盐和酯可以调节LXR功能，从而表现出优秀的抗动脉粥样硬化和抗炎活性：其中：A代表芳基或杂环芳基；R1、R2和R3相同或不同，每个代表氢、羟基、硝基、氰基、氨基、卤素、羧基、氨基甲酰基、巯基、烷基、卤代烷基、烷基羰氧基、烷氧基、烷硫基、烷磺基、烷基氨基、二烷基氨基、烷基羰基氨基、N-（烷基羰基）-N-（烷基）氨基、烷氧羰基氨基、N-（烷氧羰基）-N-（烷基）氨基、烷磺酰氨基、N-（烷磺酰基）-N-（烷基）氨基、卤代烷基磺酰氨基、N-（卤代烷基磺酰基）-N-（烷基）氨基、烷基羰基、烷氧羰基、烷基氨基羰基或二烷基氨基羰基，或R1和R2一起是亚烷二氧基；R4和R5相同或不同，每个代表氢、羟基、氨基、卤素、巯基、烷基、卤代烷基、烷氧基、烷氧羰基或烷硫基；X代表氢、羟基、卤素、烷氧基或卤代烷氧基；Y代表可选择取代的烷基、环烷基、杂环烷基、芳基、环烷基烷基、杂环烷基烷基或芳基烷基。
• OXIME ETHER DERIVATIVE AND BACTERICIDE FOR AGRICULTURAL AND HORTICULTURAL USE
  申请人：Nippon Soda Co., Ltd.

  公开号：EP2314570A1

  公开（公告）日：2011-04-27

  Provided is a fungicide for agriculture and horticulture containing at least one of oxime ether derivative represented by Formula (I) or a salt thereof (wherein X represents a halogen atom, a C1-C20 alkyl group or the like, R1 and R2 each independently represent a hydrogen atom, a C1-C20 alkyl group, or the like, R3 represents a hydrogen atom, a C1-C20 alkyl group, or the like, R4 represents a hydrogen atom, a C1-C20 alkyl group, or the like, R5 represents a hydrogen atom or the like, Y represents an oxygen atom or the like, Z represents an oxygen atom or the like, Q represents an aryl group or the like, m represents an integer of 0 to 8, and n represents an integer of 0 to 4).

  提供一种用于农业和园艺的杀菌剂，含有由式（I）表示的至少一种肟醚衍生物或其盐（其中X代表卤素原子、C1-C20烷基或类似物，R1和R2分别独立地代表氢原子、C1-C20烷基或类似物，R3代表氢原子、C1-C20烷基或类似物，R4代表氢原子、C1-C20烷基或类似物，R5代表氢原子或类似物，Y代表氧原子或类似物，Z代表氧原子或类似物，Q代表芳基或类似物，m代表0到8的整数，n代表0到4的整数）。
• CROSSLINKED ARTIFICIAL NUCLEIC ACID ALNA
  申请人：MITSUBISHI TANABE PHARMA CORPORATION

  公开号：US20220002336A1

  公开（公告）日：2022-01-06

  The present invention provides a novel bridged artificial nucleic acid and an oligomer containing the same as a monomer. The present invention provides specifically a compound represented by general formula (I) (wherein each symbol is the same as defined in the specification) or salts thereof; as well as an oligonucleotide compound represented by general formula (I′) (wherein each symbol is the same as defined in the specification) or salts thereof.

  本发明提供了一种新型的桥接人工核酸和含有该人工核酸作为单体的寡聚物。本发明具体提供了一种由通式（I）表示的化合物（其中每个符号与规范中定义的相同）或其盐；以及由通式（I'）表示的寡核苷酸化合物（其中每个符号与规范中定义的相同）或其盐。
• [EN] FUSED LACTAM COMPOUNDS<br/>[FR] COMPOSES DE LACTAME CONDENSE
  申请人：PFIZER JAPAN INC

  公开号：WO2005035523A1

  公开（公告）日：2005-04-21

  This invention provides a compound the formula (I), wherein R1 represents an aryl group having from 6 to 10 ring carbon atoms etc.; R2 represents a hydrogen atom etc., n epresents 0, 1 or 2; said heteroaryl group is unsubstituted or substituted and said ary is substituted by at least one substituer,t selected from the group consisting of substituents a; said substituents a are selected from the group 10 consisting of halogen ate ms, alkyl groups having from 1 to 6 carbon atoms etc.; or a pharmaceutically ac eptable ester of such compound, or a pharmaceutically ac eptable salt thereof. These compou ds are useful for the treatment of disease conditions caused 15 by overactivation of N DA NR2B receptor such of pain, stroke, traumatic brain injury, Parkinson's disease, Alzheimer's disease, depression, anxiety, migraine, or the like in mammalian, especially humans. This invention also provides a pharmaceutical composi ion comprising the above compound.

  本发明提供了一种具有公式(I)的化合物，其中R1代表一个具有6到10个环碳原子的芳基团等；R2代表一个氢原子等，n代表0、1或2；所说的杂芳基团未取代或取代，所说的芳基至少被一个从由取代基a组成的组中选择的取代基t所取代；所说的取代基a是从由卤素原子、具有1到6个碳原子的烷基团等组成的组中选择的；或者该化合物的药物可接受的酯，或者其药物可接受的盐。这些化合物用于治疗由NDA NR2B受体过度激活引起的疾病状况，如疼痛、中风、创伤性脑损伤、帕金森病、阿尔茨海默病、抑郁症、焦虑症、偏头痛或类似疾病，特别是在哺乳动物中，特别是人类。本发明还提供了一种包含上述化合物的药物组合物。
• Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses
  申请人：SANKYO COMPANY, LIMITED

  公开号：US20040054173A1

  公开（公告）日：2004-03-18

  Compounds having activity against production of an inflammatory cytokine of formula (I)′: 1 A′ is pyrrole; R 1′ is phenyl or naphthyl; R 2′ is pyridyl or pyrimidinyl; R 3′ is (IIa)′, (IIb)′ or (IIc)′: 2 m′ is 1; E′ is nitrogen; D′ is >C(R 5′ )—, R 5′ is hydrogen, Substituent &agr;′ or Substituent &bgr;′; B′ is nitrogen-containing 5-membered heterocyclic; R 4′ is 1 to 3 substituents from Substituent &agr;′, Substituent &bgr;′ and Substituent &ggr;′; R 1′ and R 3′ are bonded to two atoms of the pyrrole adjacent to the pyrrole atom bonded to R 2′ ; Substituent &agr;′ is hydroxyl, nitro, cyano, halogen, alkoxy, halogeno alkoxy, alkylthio, halogeno alkylthio or —NR a′ R b′ ; R a′ and R b′ are hydrogen, alkyl, alkenyl, alkynyl, aralkyl or alkylsulfonyl, or R a′ and R b′ with the nitrogen atom form a heterocyclyl; Substituent &bgr;′ is alkyl, alkenyl, alkynyl, aralkyl or cycloalkyl; Substituent &ggr;′ is oxo, hydroxyimino, alkoxyimino, alkylene, alkylenedioxy, alkylsulfinyl, alkylsulfonyl, aryl, aryloxy, alkylidenyl or aralkylidenyl.

  具有对抗公式(I)′炎症细胞因子生成活性的化合物： 1 A′是吡咯；R 1′ 是苯基或萘基；R 2′ 是吡啶基或嘧啶基；R 3′ 是(IIa)′，(IIb)′或(IIc)′： 2 m′是1；E′是氮；D′是>C(R 5′ )—, R 5′ 是氢，取代基α′或取代基β′；B′是含氮的5-成员杂环；R 4′ 是来自取代基α′，取代基β′和取代基γ′的1至3个取代基；R 1′ 和R 3′ 分别与吡咯环上与R 2′ 相连的吡咯原子的两个相邻原子成键；取代基α′是羟基，硝基，氰基，卤素，烷氧基，卤代烷氧基，烷基亚砜，卤代烷基亚砜或—NR a′ R b′ ；R a′ 和R b′ 是氢，烷基，烯基，炔基，芳烷基或烷基亚磺酰基，或者R a′ 和R b′ 与氮原子形成杂环；取代基β′是烷基，烯基，炔基，芳烷基或环烷基；取代基γ′是氧代，羟基亚胺，烷氧基亚胺，亚烷基，亚烷基二氧，烷基亚磺酰基，烷基亚磺酰基，芳基，芳氧基，亚烷基或芳亚烷基。