caffeic acid | 142039-77-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 酚类
• 英文名称: caffeic acid
• 英文别名: 4-trans-propenyl-pyrocatechol；4-trans-Propenyl-brenzcatechin；3.4-Dihydroxy-1-(propen-(1)-yl-(1t))-benzol；1,2-Benzenediol, 4-(1-propenyl)-；4-[(E)-prop-1-enyl]benzene-1,2-diol
• CAS: 142039-77-8
• 化学式: C₉H₁₀O₂
• 分子量: 150.177
• InChiKey: MDXYNRAMDATLBT-NSCUHMNNSA-N

物化性质

• 沸点：
  293.4±28.0 °C(Predicted)
• 密度：
  1.179±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  40.5
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  caffeic acid 生成 3.4-dibenzoyloxy-1-trans-propenyl-benzene
  参考文献：
  名称：

  Hiraidzumi, The journal of the Society of Chemical Industry, Japan. Supplemental binding., 1931, vol. 34, p. 208,210

  摘要：

  DOI：
• 作为产物：
  描述：

  异黄樟素 在 三氯化铝 、 氯苯 作用下， 生成 caffeic acid
  参考文献：
  名称：

  Imoto; Ono, Nippon Kagaku Kaishi/Journal of the Chemical Society of Japan, 1934, vol. 55, p. 275,279

  摘要：

  DOI：

文献信息

• MYOCARDIAL REGENERATION PROMOTING COMPOUNDS, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION, AND THEIR USE
  申请人：GENHEALTH PHARMA CO., LTD.

  公开号：US20200317602A1

  公开（公告）日：2020-10-08

  The present invention discloses a novel 3-aryl-2-propen-1-one series derivative and the synthesis processes thereof. Besides, the present invention also discloses the series derivative as a pharmaceutical composition and their use for promoting myocardial regeneration.

  本发明公开了一种新型的3-芳基-2-丙烯-1-酮系列衍生物及其合成方法。此外，本发明还公开了该系列衍生物作为一种药物组合物，以及它们用于促进心肌再生的用途。
• Synthesis of Tripodal Catechol Derivatives Having an Adamantyl Basic Framework for Functionalizing Surfaces
  申请人：Maison Wolfgang

  公开号：US20130245269A1

  公开（公告）日：2013-09-19

  The present invention describes tripodal catechol derivatives with an adamantyl basic framework for the functionalisation of surfaces, methods for their production and use. The remaining fourth bridgehead position is easily suitable to be further functionalised via so-called click reactions, by way of example with biomolecules, dyes, radiomarkers, polyethylene glycol or active agents. The compounds according to the present invention have the general formula X-Ad[(CH 2 ) n —YZ] 3 , wherein A stands for the adamantyl skeleton, X stands for a group —(CH 2 ) p —R 5 , wherein p=0 to 10 and R 5 is selected from —H, —NH 2 , —NO 2 , —OH, —SH, —O—NH 2 , —NH—NH 2 , —N═C═S—, —N═C═O—, —CH═CH 2 , —C≡CH, —COOH, —(C═O)H, —(C═O)R 6 Y stands for —CH 2 —, —CH═CH—, —O—, —S—, —S—S—, —NH—, —O—NH—, —NH—O—, —HC═N—O—, —O—N═CH—, —NR 1 —, -aryl-, -heteroaryl-, —(C═O)—, —O—(C═O)—, —(C═O)—O—, —NH—(C═O)—, —(C═O)—NH—, —NR 1 —(C═O)—, —(C═O)—NR 1 —, —NH—(C═O)—NH—, —NH—(C═S)—NH—, R 1 stands for an alkyl group, R 6 for an alkyl, alkenyl, alkynyl, aryl or heteroaryl group, and Z stands for a catechol derivative. The production of the compounds occurs by reacting a compound X-Ad[(CH 2 ) n —Y′] 3 with a reagent Y″Z to the corresponding compound X-Ad[(CH 2 ) n —YZ] 3 and subsequently purifying the reaction product. Y′ and Y″ are hereby precursors of Y. The compounds according to formula (I) according to the present invention are suitable to be used in a method to functionalise surfaces. The X group of the compounds according to the present invention is suitable to be optionally coupled to an effector, for example, by means of click chemistry.

  本发明描述了具有金刚烷基框架的三脚脚脚酚衍生物，用于功能化表面，以及它们的生产和使用方法。剩余的第四桥头位易于通过所谓的点击反应进一步功能化，例如与生物分子、染料、放射标记物、聚乙二醇或活性剂等。根据本发明的化合物具有一般公式X-Ad[(CH2)n—YZ]3，其中A代表金刚烷骨架，X代表一个基团—(CH2)p—R5，其中p=0到10，R5选自—H、—NH2、—NO2、—OH、—SH、—O—NH2、—NH—NH2、—N═C═S—、—N═C═O—、—CH═CH2、—C≡CH、—COOH、—(C═O)H、—(C═O)R6，Y代表—CH2—、—CH═CH—、—O—、—S—、—S—S—、—NH—、—O—NH—、—NH—O—、—HC═N—O—、—O—N═CH—、—NR1—、-芳基-、-杂环基-、—(C═O)—、—O—(C═O)—、—(C═O)—O—、—NH—(C═O)—、—(C═O)—NH—、—NR1—(C═O)—、—(C═O)—NR1—、—NH—(C═O)—NH—、—NH—(C═S)—NH—，R1代表烷基基团，R6代表烷基、烯基、炔基、芳基或杂环基，Z代表一个邻苯二酚衍生物。化合物的制备通过将化合物X-Ad[(CH2)n—Y′]3与试剂Y″Z反应形成相应的化合物X-Ad[(CH2)n—YZ]3，然后纯化反应产物。Y′和Y″是Y的前体。根据本发明的公式(I)的化合物适用于用于功能化表面的方法中。根据本发明的化合物的X基团适用于可选择地与效应物耦合，例如通过点击化学方法。
• NOVEL CHEMOTHERAPEUTIC AGENTS AGAINST INFLAMMATION AND CANCER
  申请人：Bose Julie Saha

  公开号：US20100168228A1

  公开（公告）日：2010-07-01

  Novel compounds, their methods of preparation and use in therapies related to cancer and inflammation are provided. Compounds comprise esters of cinnamic acid, vanillic acid and 4-hydroxy cinnamic acid and derivatives and salts thereof. Compounds with novel benzofuran lignan structure as a potent antimitotic agent and inducer of apoptosis are provided. Formulations and methods for treatment of diseases mediated by NF-kappaB are also provided.

  提供了新型化合物、其制备方法以及在与癌症和炎症相关的治疗中的用途。这些化合物包括肉桂酸酯、香草酸酯和4-羟基肉桂酸酯及其衍生物和盐。提供了具有新型苯并呋喃木脂素结构的化合物，作为一种强效抗有丝分裂剂和诱导凋亡剂。还提供了用于治疗NF-kappaB介导的疾病的配方和方法。
• PHARMACEUTICAL COMPOSITION FOR TREATING AGING-ASSOCIATED DISEASES, CONTAINING PROGERIN EXPRESSION INHIBITOR AS ACTIVE INGREDIENT, AND SCREENING METHOD OF SAID PROGERIN EXPRESSION INHIBITOR
  申请人：Park Bum Joon

  公开号：US20140039010A1

  公开（公告）日：2014-02-06

  Disclosed are a method for treating an aging-related disease and a method for screening a therapeutic agent for an aging-related disease. The method for treating an aging-related disease includes administering to a subject a progerin expression inhibitor as an active ingredient. The method for screening a therapeutic agent for an aging-related disease includes selecting a candidate drug inhibitory of progerin expression.

  披露了一种治疗与衰老相关疾病的方法和一种筛选与衰老相关疾病治疗剂的方法。治疗与衰老相关疾病的方法包括向受试者施用一种蛋白质表达抑制剂作为活性成分。筛选与衰老相关疾病治疗剂的方法包括选择一种能抑制蛋白质表达的候选药物。
• a-ASARY-LALDEHYDE ESTER, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF
  申请人：NORTHWEST UNIVERSITY

  公开号：US20170260122A1

  公开（公告）日：2017-09-14

  The present invention relates to α-asary-laldehyde ester, a preparation method therefor, and an application thereof. The chemical structure of the related α-asary-laldehyde ester is represented by formula I. A related application is an application of the compound in preparation of drugs for calming, mind tranquillizing, senile dementia resisting, convulsion resisting, epilepsy resisting and depression resisting.

  本发明涉及α-沙尼醛酯、其制备方法及其应用。相关α-沙尼醛酯的化学结构由式I表示。相关应用是将该化合物用于制备镇静、安神、抗老年性痴呆、抗惊厥、抗癫痫和抗抑郁药物。