2,5-二甲基-4-甲氧基苯甲酸 | 58106-26-6

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2,5-二甲基-4-甲氧基苯甲酸
• 英文名称: 4-Methoxy-2,5-dimethyl-benzoesaeure
• 英文别名: 4-Methoxy-2,5-dimethylbenzoic acid
• CAS: 58106-26-6
• 化学式: C₁₀H₁₂O₃
• 分子量: 180.203
• InChiKey: WXUIXMXEFZKIBM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  46.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2918990090

反应信息

• 作为反应物：
  描述：

  2,5-二甲基-4-甲氧基苯甲酸 在 三溴化硼 、 甲醇 作用下， 以 二氯甲烷 为溶剂， 反应 1.0h， 生成 2,5-二甲基-4-羟基苯甲酸
  参考文献：
  名称：

  3-(BIARYLOXY) PROPIONIC ACID DERIVATIVE

  摘要：

  公开号：

  EP2471792B1
• 作为产物：
  描述：

  2,5-二甲基苯酚 在 盐酸 、 氢氧化钾 、 三氯化铝 、 permanganate(VII) ion 、 丙酮 作用下， 生成 2,5-二甲基-4-甲氧基苯甲酸
  参考文献：
  名称：

  A patient with type I CD36 deficiency whose myocardium accumulated123I-BMIPP after 4 years

  摘要：

  A 73-year-old man with aortic regurgitation was examined by I-123-alpha -methyl-p-iodophenylpentadecanoic acid (BMIPP) myocardial single photon emission computed tomography (SPECT) in 1995. Myocardial accumulation was not evident on either the early or the delayed image obtained 15 minutes and 3 hours, respectively, after injecting I-123-BMIPP. Flow cytometric analysis of CD36 expression in monocytes and platelets identified a type I CD36 deficiency. The patient was hospitalized for severe heart failure in 1999. Upon admission, the cardiothoracic ratio on chest Xrays was 73%, and the left ventricular end-diastolic diameter on echocardiograms was enlarged to 77 mm. On the second day, we performed I-123-BMIPP myocardial SPECT. Myocardial accumulation was evident in the delayed, but not in the early image. We repeated I-123-BMIPP myocardial SPECT on the 10th day after admission. Myocardial accumulation was evident on both early and delayed images. Tc-99m-tetrofosmin myocardial SPECT was immediately performed after I-123-BMIPP myocardial SPECT to distinguish myocardial from pooling images in the left ventricle, but, because the images from both 99mTc-tetrofosmin and I-123-BMIPP myocardial SPECT were idential, we considered that the 123I-BMIPP myocardial SPECT images reflected the actual myocardial condition.The CD36 molecule transports long-chain fatty acid (LCFA) on the myocardial membrane, but I-123-BMIPP scintigraphy does not show any myocardial accumulation in patients with type I CD36 deficiency, indicating that myocardial LCFA uptake occurs through CD36 on the human myocardial membrane. Even though our patient had type I CD36 deficiency, BMIPP was uptaken by the myocardium during heart failure, suggesting a variant pathway on the human myocardial membrane for LCFA uptake.

  DOI：

  10.1007/bf02987845

文献信息

• CH Functionalization Logic Enables Synthesis of (+)-Hongoquercin A and Related Compounds
  作者：Brandon R. Rosen、Leah R. Simke、Peter S. Thuy-Boun、Darryl D. Dixon、Jin-Quan Yu、Phil S. Baran

  DOI：10.1002/anie.201303838

  日期：2013.7.8

  The specifics: A synthesis of the sesquiterpenoid antibiotic (+)‐hongoquercin A using sequential site‐specific CH methylation and oxidation reactions is described. A key advancement toward this goal was the development of a ligand‐accelerated CH methylation reaction, and enabled the generation of a library of eight structurally diverse analogues.

  细节：所述倍半萜类抗生素（+）的合成-使用位点特异性顺序hongoquercin A C  ħ甲基化反应和氧化反应进行说明。实现该目标的关键进展是开发了配体促进的CH甲基化反应，并能够生成八种结构多样的类似物。
• Compounds
  申请人：Alcaraz Lilian

  公开号：US20090298807A1

  公开（公告）日：2009-12-03

  The present invention relates to spirocyclic amide derivatives of the formula I, pharmaceutically acceptable salts thereof, a process for their preparation, pharmaceutical compositions containing them, and their use in therapy.

  本发明涉及公式 I 的螺环酰胺衍生物，其药学上可接受的盐，其制备方法，含有它们的制药组合物以及它们在治疗中的应用。
• 3-(BIARYOXY)PROPIONIC ACID DERIVATIVE
  申请人：Nishi Tatsuya

  公开号：US20120245152A1

  公开（公告）日：2012-09-27

  A compound of the general formula (I): [wherein, R 1 represents a halogen atom, or the like, R 2 represents a hydrogen atom, or the like, R 3 and R 4 , each independently, represent a hydrogen atom, a C 1-4 alkyl group, or the like, R 5 represents a hydrogen atom, a halogen atom, or the like, R 6 represents a hydrogen atom, a halogen atom, or the like, R 7 and R 8 , each independently, represent a hydrogen atom, a halogen atom, or the like, R 9 and R 10 , each independently, represent a hydrogen atom, a C 1-4 alkyl group, R 11 and R 12 , each independently, represent a hydrogen atom, a C 1-4 alkyl group, or the like, X represents an oxygen atom, a group —CH 2 —, or the like, Y represents a nitrogen atom, a group ═CH—, or the like, and Z represents a nitrogen atom, or the like] or a pharmacologically acceptable salt thereof, which has an excellent suppressive action on platelet aggregation, and is useful for prevention and/or treatment of thromboembolism.

  一种具有一般式（I）的化合物：[其中，R1代表卤素原子或类似物，R2代表氢原子或类似物，R3和R4各自独立地代表氢原子、C1-4烷基或类似物，R5代表氢原子、卤素原子或类似物，R6代表氢原子、卤素原子或类似物，R7和R8各自独立地代表氢原子、卤素原子或类似物，R9和R10各自独立地代表氢原子、C1-4烷基，R11和R12各自独立地代表氢原子、C1-4烷基或类似物，X代表氧原子、-CH2-基团或类似物，Y代表氮原子、═CH-基团或类似物，Z代表氮原子或类似物]或其药学上可接受的盐，具有出色的抑制血小板聚集作用，可用于预防和/或治疗血栓栓塞。
• Compouds
  申请人：Alcaraz Lilian

  公开号：US20120322788A1

  公开（公告）日：2012-12-20

  The present invention relates to spirocyclic amide derivatives of the formula I, pharmaceutically acceptable salts thereof, a process for their preparation, pharmaceutical compositions containing them, and their use in therapy.

  本发明涉及公式I的螺环酰胺衍生物，其药学上可接受的盐，其制备方法，含有它们的制药组合物以及它们在治疗中的用途。
• Discovery of Potent KIFC1 Inhibitors Using a Method of Integrated High-Throughput Synthesis and Screening
  作者：Bin Yang、Michelle L. Lamb、Tao Zhang、Edward J. Hennessy、Gurmit Grewal、Li Sha、Mark Zambrowski、Michael H. Block、James E. Dowling、Nancy Su、Jiaquan Wu、Tracy Deegan、Keith Mikule、Wenxian Wang、Rüdiger Kaspera、Claudio Chuaqui、Huawei Chen

  DOI：10.1021/jm501179r

  日期：2014.12.11

  KIFC1 (HSET), a member of the kinesin-14 family of motor proteins, plays an essential role in centrosomal bundling in cancer cells, but its function is not required for normal diploid cell division. To explore the potential of KIFC1 as a therapeutic target for human cancers, a series of potent KIFC1 inhibitors featuring a phenylalanine scaffold was developed from hits identified through high-throughput screening (HTS). Optimization of the initial hits combined both design-synthesis-test cycles and an integrated high-throughput synthesis and biochemical screening method. An important aspect of this integrated method was the utilization of DMSO stock solutions of compounds registered in the corporate compound collection as synthetic reactants. Using this method, over 1500 compounds selected for structural diversity were quickly assembled in assay-ready 384-well plates and were directly tested after the necessary dilutions. Our efforts led to the discovery of a potent KIFC1 inhibitor, AZ82, which demonstrated the desired centrosome declustering mode of action in cell studies.