allyl-4-(bromomethyl)benzoate | 155030-52-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: allyl-4-(bromomethyl)benzoate
• 英文别名: 4-bromomethylbenzoic acid allylester；Prop-2-en-1-yl 4-(bromomethyl)benzoate；prop-2-enyl 4-(bromomethyl)benzoate
• CAS: 155030-52-7
• 化学式: C₁₁H₁₁BrO₂
• 分子量: 255.111
• InChiKey: ZZTZFWQBSIBRSW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  14
• 可旋转键数：
  5
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.18
• 拓扑面积：
  26.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  allyl-4-(bromomethyl)benzoate 在 四丁基氟化铵 作用下， 以 乙腈 为溶剂， 生成
  参考文献：
  名称：

  可见光光氧化还原催化的 C(sp3)-F 键与 CO2 的选择性羧化

  摘要：

  在有价值的化合物的合成中，利用二氧化碳 (CO 2 ) 作为一种无毒且可持续的 C1 来源，因其惰性而极具吸引力和挑战性。在这里，我们报告了 C(sp 3 )-F 键与 CO 2通过可见光光氧化还原催化的新型选择性羧化。各种单、二和三氟烷基芳烃以及 α,α-二氟羧酸酯和酰胺在温和条件下进行此类反应，生成重要的芳基乙酸和 α-氟羧酸，包括几种药物和类似物。值得注意的是，机械研究和 DFT 计算证明了 CO 2的双重作用在这种转变过程中作为电子载体和亲电子试剂。氟化底物将通过富电子的 CO 2自由基阴离子进行单电子还原，这些阴离子是通过连续的氢化物转移还原和氢原子转移过程从 CO 2原位生成的。我们预计我们的发现将成为使用惰性底物（包括木质素和其他生物质）进行更具挑战性的 CO 2利用率的起点。

  DOI：

  10.1016/j.chempr.2021.08.004
• 作为产物：
  描述：

  对溴甲基苯甲酸 、 烯丙醇 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 allyl-4-(bromomethyl)benzoate
  参考文献：
  名称：

  Anti-oligomerization sheet molecules: Design, synthesis and evaluation of inhibitory activities against α-synuclein aggregation

  摘要：

  Aggregation of alpha-synuclein (alpha-Syn) play a key role in the development of Parkinson Disease (PD). One of the effective approaches is to stabilize the native, monomeric protein with suitable molecule ligands. We have designed and synthesized a series of sheet-like conjugated compounds which possess different skeletons and various heteroatoms in the two blocks located at both ends of linker, which have good pi-electron delocalization and high ability of hydrogen-bond formation. They have shown anti-aggregation activities in vitro towards alpha-Syn with IC50 down to 1.09 mu M. The molecule is found binding in parallel to the NACore within NAC domain of alpha-Syn, interfering aggregation of NAC region within different alpha-Syn monomer, and further inhibiting or slowing down the formation of alpha-Syn oligomer nuclei at lag phase. The potential inhibitor obtained by our strategy is considered to be highly efficient to inhibit alpha-Syn aggregation.

  DOI：

  10.1016/j.bmc.2019.05.032

文献信息

• [EN] 3,4,6,7-TETRAHYDRO-1H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONES AND THEIR THERAPEUTIC USE<br/>[FR] 3,4,6,7-TÉTRAHYDRO-1H-PYRROLO[3,4-D]PYRIMIDINE-2,5-DIONES ET LEUR UTILISATION THÉRAPEUTIQUE
  申请人：ARGENTA DISCOVERY LTD

  公开号：WO2009060206A1

  公开（公告）日：2009-05-14

  Compounds in which two substituted 3,4,6,7-tetrahydro-1 H-pyrrolo[3,4-d]pyrimidine-2,5- dione molecules are covalently linked via a linker radical which has contains a betaine or zwitterionic motif are inhibitors of human neutrophil elastase activity, for the treatment of respiratory diseases, especially by inhalation.

  含有两个取代的3,4,6,7-四氢-1H-吡咯[3,4-d]嘧啶-2,5-二酮分子的化合物，通过一个含有甜菜碱或带电离子基团的连接基团共价连接在一起，是人类中性粒细胞弹性蛋白酶活性的抑制剂，用于治疗呼吸道疾病，尤其是通过吸入途径。
• [EN] PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS<br/>[FR] COMPOSÉS PYRAZOLE COMME ANTAGONISTES DU CRTH2
  申请人：BOEHRINGER INGELHEIM INT

  公开号：WO2011092140A1

  公开（公告）日：2011-08-04

  The present invention relates to pyrazole compounds of formula (I) and pharmaceutically acceptable salts thereof having CRTH2-activity, wherein W, L1, L2, X, L3, Y, R1 and R2 are as defined in the specification and claims, to their use as medicaments and to pharmaceutical formulations, containing said compounds or containing a combination of said compounds with one or more active substances.

  本发明涉及具有CRTH2活性的式（I）的吡唑化合物及其药学上可接受的盐，其中W、L1、L2、X、L3、Y、R1和R2如规范和索赔中定义，其用作药物和含有该化合物或与一个或多个活性物质的组合物的药物配方。
• PYRAZOLE COMPOUNDS AS CRTH2 ANTAGONISTS
  申请人：OOST Thorsten

  公开号：US20120028938A1

  公开（公告）日：2012-02-02

  The present invention relates to pyrazole compounds of formula (I) and pharmaceutically acceptable salts thereof having CRTH2-activity, wherein W, L 1 , L 2 , X, L 3 , Y, R 1 and R 2 are as defined in the specification and claims, to their use as medicaments and to pharmaceutical formulations, containing said compounds or containing a combination of said compounds with one or more active substances.

  本发明涉及具有CRTH2活性的式(I)的吡唑化合物及其药学上可接受的盐，其中W、L1、L2、X、L3、Y、R1和R2如规范和索赔中所定义，以及它们作为药物的用途和包含该化合物或包含该化合物与一种或多种活性物质的组合物的制药配方。
• [EN] PROTEIN KINASE INHIBITORS<br/>[FR] INHIBITEURS DE PROTÉINES KINASES
  申请人：ORIBASE PHARMA

  公开号：WO2014102376A1

  公开（公告）日：2014-07-03

  The present invention relates to compounds of the following formula (I) and/or the pharmaceutically acceptable addition salts, solvates, enantiomers, diastereoisomers thereof, as well as mixtures thereof. The subject matter of the present invention thus also includes the preparation of compounds of formula (I), their uses, in particular in the inhibition of protein kinases which are implicated for example in numerous diseases such as cancers or immune system disorders.

  本发明涉及以下式（I）的化合物和/或药用可接受的加盐物、溶剂化物、对映体、二对映异构体，以及它们的混合物。因此，本发明的内容还包括制备式（I）化合物，它们的用途，特别是在抑制蛋白激酶方面，这些蛋白激酶在许多疾病中起作用，例如癌症或免疫系统紊乱。
• Retinoid antagonists and uses thereof
  申请人：——

  公开号：US20010003780A1

  公开（公告）日：2001-06-14

  Retinoid antagonist compounds have been found to be useful in the prevention and/or minimization of surgical adhesion formation. Also provided by the invention are certain novel substituted (5,6)-dihydronaphthalenyl compounds which are retinoid antagonists and possess the above-mentioned property in addition to their use as antiinflammatory agents for chronic skin inflammatory diseases, as agents for the treatment of rheumatic diseases and as agents for the treatment of various tumors as well as non-malignant proliferative skin conditions.

  发现拮抗视黄醇的化合物在预防和/或最小化手术粘连形成方面是有用的。本发明还提供了某些新型取代的（5,6）-二氢萘基化合物，它们是视黄醇拮抗剂，并具有上述特性，除了作为慢性皮肤炎症疾病的抗炎剂外，还用作治疗风湿性疾病的药物和用于治疗各种肿瘤以及非恶性增生性皮肤病的药物。