α,β-dimethylglutaconic acid | 167637-44-7

• 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: α,β-dimethylglutaconic acid
• 英文别名: 2,3-Dimethyl-2-pentenedioic acid；2,3-dimethylpent-2-enedioic acid
• CAS: 167637-44-7
• 化学式: C₇H₁₀O₄
• 分子量: 158.154
• InChiKey: NAKQGXVVYBJTAK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  α,β-dimethylglutaconic acid 在 三氟乙酸酐 作用下， 以 二氯甲烷 为溶剂， 以100%的产率得到2,3-dimethyl-pentenedioic acid-anhydride
  参考文献：
  名称：

  摘要：

  Purpose. Optimization of the therapeutic ratio of analogs of the topically active 11-cis, 13-cis-12-hydroxymethylretinoic acid, delta-lactone (1) relative to antihyperproliferation and antihyperkeratinization vs. toxicity. Methods. Nine analogs of 1, in which variations were made in the lipophilic cyclohexenyl moiety or in the lactone ring, were evaluated for topical activity against hyperkeratinization, inhibition of TPA-induced DNA synthesis and for skin irritation. Results. Although more potent lactones than the parent lactone 1 were identified, none possessed the favorable therapeutic ratio associated with 1. Conclusions. The delta-lactone 1 possesses unique molecular features responsible for its desirable therapeutic ratio as an antihyperproliferative and antihyperkeratotic agent. In view of its very low systemic retinoid toxicity and the absence of any systemic toxicity, this lactone may be a good candidate for use in the topical treatment of acne.

  DOI：

  10.1023/a:1016250129246
• 作为产物：
  描述：

  ethyl α-cyano-β,γ-dimethylglutaconate 在 盐酸 作用下， 反应 7.0h， 以47%的产率得到α,β-dimethylglutaconic acid
  参考文献：
  名称：

  摘要：

  Purpose. Optimization of the therapeutic ratio of analogs of the topically active 11-cis, 13-cis-12-hydroxymethylretinoic acid, delta-lactone (1) relative to antihyperproliferation and antihyperkeratinization vs. toxicity. Methods. Nine analogs of 1, in which variations were made in the lipophilic cyclohexenyl moiety or in the lactone ring, were evaluated for topical activity against hyperkeratinization, inhibition of TPA-induced DNA synthesis and for skin irritation. Results. Although more potent lactones than the parent lactone 1 were identified, none possessed the favorable therapeutic ratio associated with 1. Conclusions. The delta-lactone 1 possesses unique molecular features responsible for its desirable therapeutic ratio as an antihyperproliferative and antihyperkeratotic agent. In view of its very low systemic retinoid toxicity and the absence of any systemic toxicity, this lactone may be a good candidate for use in the topical treatment of acne.

  DOI：

  10.1023/a:1016250129246

文献信息

• Sulfonium Initiators, Process For Production And Use In Cationic Polymerizable Compositions
  申请人：Klettke Thomas

  公开号：US20080200585A1

  公开（公告）日：2008-08-21

  The invention relates to an initiator comprising at least one structural element characterized by the following formula (I) wherein X − is a non or low coordinating anion, R1, R2, R3, R4 are independently linear, cyclic or branched C 1 -C 20 alkyl or alkylene groups, wherein one or more of the methylene groups contained in the alkyl or alkylene group can be substituted by —CO—, —CONH—, —CON(CH 3 )—, —S— and/or —O—, and wherein R1, R2, R3 and/or R4 can act as a bridging element connecting two or more structural elements. The invention is also related to a process of producing the initiator and to a curable composition comprising the initiator, a process for producing the curable composition a kit comprising a cationically curable composition and the inventive initiator and the use of the initiator or the curable composition comprising the initiator for various applications, especially in the dental field.

  该发明涉及一种引发剂，其包括至少一个结构元素，其特征是以下式（I）其中X-是非或低配位的阴离子，R1、R2、R3、R4分别是独立的线性、环状或支链的C1-C20烷基或烷基烯基，其中烷基或烷基烯基中含有的一个或多个亚甲基基团可以被取代为—CO—、—CONH—、—CON(CH3)—、—S—和/或—O—，且其中R1、R2、R3和/或R4可以作为连接两个或多个结构元素的桥接元素。该发明还涉及一种制备所述引发剂的方法，以及包括所述引发剂的可固化组合物，生产可固化组合物的方法，包括阳离子固化组合物和所述创新引发剂的套件，以及引发剂或包括引发剂的可固化组合物在各种应用中的使用，特别是在牙科领域。
• HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS
  申请人：Rodgers James D.

  公开号：US20110224157A1

  公开（公告）日：2011-09-15

  The present invention provides heteroaryl substituted pyrrolo[2,3-b]pyridines and heteroaryl substituted pyrrolo[2,3-b]pyrimidines that modulate the activity of Janus kinases and are useful in the treatment of diseases related to activity of Janus kinases including, for example, immune-related diseases, skin disorders, myeloid proliferative disorders, cancer, and other diseases.

  本发明提供了杂环取代的吡咯[2,3-b]吡啶和杂环取代的吡咯[2,3-b]嘧啶，它们可以调节Janus激酶的活性，并且在治疗与Janus激酶活性相关的疾病方面非常有用，例如免疫相关疾病、皮肤疾病、骨髓增生性疾病、癌症和其他疾病。
• Sulfonium initiators, process for production and use in cationic polymerizable compositions
  申请人：3M Innovative Properties Company

  公开号：EP1748057A1

  公开（公告）日：2007-01-31

  The invention relates to an initiator comprising at least one structural element characterized by the following formula: wherein X - is a non or low coordinating anion, R1, R2, R3, R4 are independently linear, cyclic or branched C1 - C20 alkyl or alkylene groups, wherein one or more of the methylene groups contained in the alkyl or alkylene group can be substituted by -CO-,-CONH-, -CON(CH3)-, -S- and/or -O-, and wherein R1, R2, R3 and/or R4 can act as a bridging element connecting two or more structural elements. The invention is also related to a process of producing the initiator and to a curable composition comprising the initiator, a process for producing the curable composition a kit comprising a cationically curable composition and the inventive initiator and the use of the initiator or the curable composition comprising the initiator for various applications, especially in the dental field.

  本发明涉及一种由至少一种结构单元组成的引发剂，其特征为下式： 其中X-为非配位或低配位阴离子，R1、R2、R3、R4独立地为线性、环状或支化的C1-C20烷基或亚烷基，其中烷基或亚烷基中所含的一个或多个亚甲基可被-CO-、-CONH-、-CON(CH3)-、-S-和/或-O-取代，且R1、R2、R3和/或R4可作为连接两个或多个结构单元的桥接元件。 本发明还涉及一种生产引发剂的工艺和一种包含引发剂的可固化组合物，一种生产可固化组合物的工艺，一种包含阳离子可固化组合物和本发明引发剂的试剂盒，以及引发剂或包含引发剂的可固化组合物在各种应用中的使用，特别是在牙科领域。
• Oligomere geradkettiger und unverzweigter Fettsäuren und diese enthaltende Arzneimitel
  申请人：PLT Patent & Licence Trading Ltd.

  公开号：EP2216319A2

  公开（公告）日：2010-08-11

  Die vorliegende Erfindung betrifft neue Substanzen, die sich aus natürlicherweise vorkommenden geradkettigen und unverzweigten Fettsäuren sowie aus halbsynthetischen und synthetischen Verbindungen mit prinzipiell gleicher Struktur dadurch ableiten, dass sie Dimere, Trimere, Tetramere, oder höhere Oligomere der Ausgangssubstanzen darstellen.

  本发明涉及从天然存在的直链和非支链脂肪酸以及从半合成和合成化合物中提取的新物质，这些新物质原则上具有相同的结构，即它们是起始物质的二聚体、三聚体、四聚体或更高的低聚物。
• Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors
  申请人：Incyte Corporation

  公开号：EP2343298A1

  公开（公告）日：2011-07-13

  The present invention provides heteroaryl substituted pyrrolo[2,3-b]pyridines (I) and heteroaryl substituted pyrrolo[2,3-b]pyrimidines that modulate the activity of Janus kinases and are useful in the treatment of diseases related to activity of Janus kinases including, for example, immune-related diseases, skin disorders, myeloid proliferative disorders, cancer, and other diseases.

  本发明提供了杂芳基取代的吡咯并[2,3-b]吡啶(I)和杂芳基取代的吡咯并[2,3-b]嘧啶，它们能调节 Janus 激酶的活性，可用于治疗与 Janus 激酶活性有关的疾病，例如包括免疫相关疾病、皮肤病、骨髓增生性疾病、癌症和其他疾病。