N-(4-Pentenyl)butanamide | 130261-80-2

• 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: N-(4-Pentenyl)butanamide
• 英文别名: N-(4-pentenyl)butyramide；N-pent-4-enylbutanamide
• CAS: 130261-80-2
• 化学式: C₉H₁₇NO
• 分子量: 155.24
• InChiKey: JZBZLKSNZZJMCV-UHFFFAOYSA-N

物化性质

• 沸点：
  282.1±19.0 °C(Predicted)
• 密度：
  0.871±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  29.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-(4-Pentenyl)butanamide 在 sodium hydroxide 、 lithium aluminium tetrahydride 作用下， 以 乙腈 为溶剂， 反应 20.0h， 生成 1-Butyl-2-(phenylselanylmethyl)pyrrolidine
  参考文献：
  名称：

  N-羟基吡啶-2-硫酮氨基甲酸酯。IV。氨基自由基和铝阳离子自由基的5- exo环化的比较

  摘要：

  研究了N-丁基-4-戊烯丙基和N-丁基-4-戊烯阳离子的环化。自由基是由相同的N-羟基吡啶-2-硫酮氨基甲酸酯前体在链反应中产生的。确定了在50℃下氨化自由基环化的速率常数和由此形成的产物的开环。在各种条件下，研究了由氨基自由基的质子化形成的铵阳离子自由基的环化。

  DOI：

  10.1016/s0040-4020(01)82012-3
• 作为产物：
  描述：

  丁酸酐 、 4-Penten-1-胺 在 三乙胺 作用下， 以 四氢呋喃 为溶剂， 反应 3.0h， 以80%的产率得到N-(4-Pentenyl)butanamide
  参考文献：
  名称：

  N-羟基吡啶-2-硫酮氨基甲酸酯。IV。氨基自由基和铝阳离子自由基的5- exo环化的比较

  摘要：

  研究了N-丁基-4-戊烯丙基和N-丁基-4-戊烯阳离子的环化。自由基是由相同的N-羟基吡啶-2-硫酮氨基甲酸酯前体在链反应中产生的。确定了在50℃下氨化自由基环化的速率常数和由此形成的产物的开环。在各种条件下，研究了由氨基自由基的质子化形成的铵阳离子自由基的环化。

  DOI：

  10.1016/s0040-4020(01)82012-3

文献信息

• Amidyl radicals from N-(phenylthio)amides
  作者：John L. Esker、Martin Newcomb

  DOI：10.1016/s0040-4039(00)91819-7

  日期：1993.10

  Preparations on N-(phenylthio)amides from secondary amides are described, and these species are shown to be efficient precursors for amidyl radicals in Bu3SnH mediated reactions; cyclizations of δ,ε-unsaturated amidyl radicals from these precursors and their use in measurement of relative rate constants are reported.

  描述了由仲酰胺在N-（苯硫基）酰胺上的制备，这些物质被证明是Bu 3 SnH介导的反应中酰胺基自由基的有效前体。报道了来自这些前体的δ，ε-不饱和酰胺基的环化及其在相对速率常数的测量中的应用。
• [EN] TREATMENT AND PREVENTION OF HBV DISEASES BY CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACIDES 1 AND 3<br/>[FR] TRAITEMENT ET PRÉVENTION DE MALADIES DU VHB PAR DES MOLÉCULES ANALOGUES DE CYCLOSPORINE MODIFIÉES AU NIVEAU DES ACIDES AMINÉS 1 ET 3
  申请人：CONTRAVIR PHARMACEUTICALS INC

  公开号：WO2018106928A1

  公开（公告）日：2018-06-14

  The present application relates to a method of treating and/or preventing a hepatitis B virus (HBV) disease through inhibiting the interaction of CypA with HBV X protein (HBx) and/or Hepatitis B surface antigen (HBsAg), comprising administering to a subject in need thereof a compound of Formula L.

  本申请涉及一种通过抑制CypA与乙型肝炎病毒（HBV）X蛋白（HBx）和/或乙型肝炎表面抗原（HBsAg）的相互作用来治疗和/或预防乙型肝炎病毒（HBV）疾病的方法，包括向需要的受试者施用一种L式化合物。
• CYCLOSPORINE ANALOGUE MOLECULES MODIFIED AT AMINO ACID 1 AND 3
  申请人：ContraVir Pharmaceuticals, Inc.

  公开号：EP3461835A1

  公开（公告）日：2019-04-03

  Analogues of cyclosporin-A are disclosed comprising modifications of the substituents as the positions of amino acids 1 and 3, according to the following Formula (I). The disclosed compounds include compounds having affinity for cyclophilin, including cyclophilin-A, and reduced immunosuppressivity in comparison with cyclosporin-A and analogs thereof modified solely at position 1.

  根据下式(I)，环孢素-A 的类似物包括氨基酸 1 和 3 位置的取代基修饰。所公开的化合物包括与环孢素-A 及其仅在 1 位修饰的类似物相比，对包括环纤蛋白酶-A 在内的环纤蛋白酶具有亲和性并降低免疫抑制性的化合物。
• Chemistry of amidyl radicals produced from N-hydroxypyridine-2-thione imidate esters
  作者：John L. Esker、Martin Newcomb

  DOI：10.1021/jo00070a033

  日期：1993.8

  The title radical precursors were prepared from secondary amides by reaction of the amide with phosgene to give an imidoyl chloride followed by reaction with the sodium salt of N-hydroxypyridine-2-thione. Visible light initiated reactions of these precursors gave amidyl radicals 2 which could react with their precursors to give N-(2-pyridylthio) amides or with t-BuSH to give the parent amide. Radicals 2 containing delta,epsilon-unsaturation on the acyl or alkyl chain cyclized in a 5-exo fashion to give ultimately gamma-lactams and N-acylpyrrolidines, respectively. Tandem 5-exo cyclizations of the N-allyl-4-pentenamidyl radical gave pyrrolizidinone products, and a tandem 5-exo/6-endo reaction sequence of the N-(4-pentenyl)benzamidyl radical gave, ultimately, 3,4-benzoindolizidinone. Several relative rate constants for cyclization and trapping of the amidyl radicals and for intramolecular reactions and trapping of the carbon-centered radicals formed by amidyl radical cyclizations were determined, and these values can be employed in synthetic planning.
• NONIMMUNOSUPPRESSIVE CYCLOSPORINE ANALOGUE MOLECULES
  申请人：Hegmans Alexander

  公开号：US20130190223A1

  公开（公告）日：2013-07-25

  The compounds of the present invention are non-immunosupressive cyclosporine analogue molecules that are able to bind cyclophilin. Said compounds include a modified side chain of amino acid I of cyclosporin A, consisting of an oxyalkyl having substituents R′, R1 and R2, where R′ is H or Acetyl; R1 is a saturated or unsaturated straight chain or branched aliphatic carbon chain; and R2 may be a hydrogen; a unsubstituted, N substituted or NN disubstituted amide; a N substituted or unsubstituted acyl protected amine; a carboxylic acid; a N substituted or unsubstituted amine; a nitrile; a ester; a ketone; a hydroxy, dihydroxy, trihydroxy or polyhydroxy alkyl; or a substituted or unsubstituted aryl.