2,2,4,6,7-Pentamethyl-2,3,3a,4-tetrahydro-1-benzofuran | 142874-81-5

• 物质功能分类: 有机原料 - 杂环化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: 2,2,4,6,7-Pentamethyl-2,3,3a,4-tetrahydro-1-benzofuran
• 英文别名: 2,2,4,6,7-pentamethyl-3a,4-dihydro-3H-1-benzofuran
• CAS: 142874-81-5
• 化学式: C₁₃H₂₀O
• 分子量: 192.3
• InChiKey: SLROPVABSCVNOL-UHFFFAOYSA-N

物化性质

• 熔点：
  44-46 °C
• 沸点：
  268.7±40.0 °C(Predicted)
• 密度：
  0.966±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  14
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.69
• 拓扑面积：
  9.2
• 氢给体数：
  0
• 氢受体数：
  1

文献信息

• Compositions Comprising Enzyme-Cleavable Oxycodone Prodrug
  申请人：Jenkins Thomas E.

  公开号：US20120178772A1

  公开（公告）日：2012-07-12

  The embodiments provide Compound KC-8, N-1-[3-(oxycodone-6-enol-carbonyl-methyl-amino)-2,2-dimethyl-propylamine]-arginine-glycine-malonic acid, or acceptable salts, solvates, and hydrates thereof. The present disclosure also provides compositions, and their methods of use, where the compositions comprise a prodrug, Compound KC-8, that provides controlled release of oxycodone. Such compositions can optionally provide a trypsin inhibitor that interacts with the enzyme that mediates the controlled release of oxycodone from the prodrug so as to attenuate enzymatic cleavage of the prodrug.

  本发明提供了化合物KC-8，即N-1-[3-(氧可酮-6-烯醇-羰基-甲基-氨基)-2,2-二甲基-丙胺]-精氨酸-甘氨酸-苹果酸，或其可接受的盐、溶剂合物和水合物。本发明还提供了包含前药KC-8的组合物及其使用方法，其中该组合物包含一个前药KC-8，它能控制释放氧可酮。这样的组合物可以选择性地提供一个胰蛋白酶抑制剂，该抑制剂与介导前药控制释放氧可酮的酶相互作用，以减弱前药的酶切裂。
• [EN] NEW ANTIBACTERIAL PRODUCTS<br/>[FR] NOUVEAUX PRODUITS ANTIBACTÉRIENS
  申请人：UNIV OF LINCOLN

  公开号：WO2018162922A1

  公开（公告）日：2018-09-13

  The invention provides novel antibacterial compounds of formulae IA, IB and IC as defined herein. Optionally, the antibacterial compounds can be bonded to a delivery agent that is capable of bonding to one or more structures on a bacterial cell membrane. The invention also provides the use of such compounds in treating or preventing bacterial infections, and processes for their synthesis.

  该发明提供了如下所定义的IA、IB和IC式的新型抗菌化合物。可选地，这些抗菌化合物可以与能够结合到细菌细胞膜上的一个或多个结构的传递剂结合。该发明还提供了利用这些化合物治疗或预防细菌感染的方法，以及它们的合成方法。
• Z-SELECTIVE OLEFIN METATHESIS OF PEPTIDES
  申请人：CALIFORNIA INSTITUTE OF TECHNOLOGY

  公开号：US20160185821A1

  公开（公告）日：2016-06-30

  The invention relates generally to the synthesis of modified amino acids and modified peptides in the presence of cyclometalated catalysts. The invention has utility in the fields of catalysis, organic synthesis, polymer chemistry, and industrial and fine chemicals chemistry.

  该发明通常涉及在环金属催化剂存在下合成改性氨基酸和改性肽。该发明在催化、有机合成、聚合物化学以及工业和精细化学品化学领域具有实用性。
• [EN] FOXP3-BINDING PEPTIDES AND USES THEREOF<br/>[FR] PEPTIDES DE LIAISON À FOXP3 ET LEURS UTILISATIONS
  申请人：FUNDACION PARA LA INVESTIG MEDICA APLICADA

  公开号：WO2018077716A1

  公开（公告）日：2018-05-03

  The present invention provides peptides of general formula (I) and salts thereof, wherein: R1 and R2, taken together, form a birradical linker; and R2' is hydrogen; or, alternatively, R1 is selected from hydrogen, -C(=O)-CH2-NH-C(=O)-(C1-C5)alkyl, and -C(=O)-(C1-C20)alkyl; one of R2 and R2' is hydrogen and the other is selected from -C(=O)NR3R4, and -C(=O)OH; and R3 and R4 are same or different and are selected from hydrogen and (C1-C10)alkyl. These peptides are highly efficient in binding and inhibiting FoxP3, being efficient in inhibiting and blocking Treg cell functionality, which make them useful in the treatment of cancer. The present invention also provides constructs comprising the peptide of formula (I) as well as combinations comprising the peptide of formula (I), the construct or both.

  本发明提供了通式(I)的肽及其盐，其中：R1和R2一起形成一个双自由基连接物；R2'是氢；或者，另外，R1选自氢、-C(=O)-CH2-NH-C(=O)-(C1-C5)烷基和-C(=O)-(C1-C20)烷基；R2和R2'中的一个是氢，另一个选自-C(=O)NR3R4和-C(=O)OH；R3和R4相同或不同，选自氢和(C1-C10)烷基。这些肽在结合和抑制FoxP3方面非常高效，能够有效抑制和阻断Treg细胞的功能，因此在癌症治疗中非常有用。本发明还提供了包含通式(I)肽的构建物，以及包含通式(I)肽、构建物或两者的组合。
• COMPOSITIONS FOR REDUCING RISK OF ADVERSE EVENTS CAUSED BY DRUG-DRUG INTERACTIONS
  申请人：JENKINS Thomas E.

  公开号：US20120232066A1

  公开（公告）日：2012-09-13

  The present disclosure provides a composition comprising a GABA A agonist and a GI enzyme inhibitor. The present disclosure also provides a composition comprising (a) a GI enzyme inhibitor and (b) a first drug that interacts with a second drug to produce an adverse effect when the second drug is co-ingested as a GI enzyme-cleavable prodrug with the first drug. Such an interaction can be additive or synergistic.

  本公开提供一种包含GABAA激动剂和GI酶抑制剂的组合物。本公开还提供一种包含（a）GI酶抑制剂和（b）第一药物的组合物，当第二药物以GI酶可切割的前药形式与第一药物共同摄入时，第一药物与第二药物相互作用产生不良效应。这种相互作用可以是加成的或协同的。