辛-2-炔酰胺 | 117821-02-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 辛-2-炔酰胺
• 英文名称: oct-2-ynamide
• 英文别名: Oct-2-inamid；Oct-2-insaeure-amid；Heptin(1)-carbonsaeure-(1)-amid；n-Amylpropiolsaeure-amid；2-Octynamide
• CAS: 117821-02-0
• 化学式: C₈H₁₃NO
• mdl: MFCD01711044
• 分子量: 139.197
• InChiKey: OCHGSVAVCZKJBA-UHFFFAOYSA-N

物化性质

• 熔点：
  91 °C
• 沸点：
  232.6±23.0 °C(Predicted)
• 密度：
  0.961±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.625
• 拓扑面积：
  43.1
• 氢给体数：
  1
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  辛-2-炔酰胺 在 sodium hypochlorite 作用下， 生成 N-chloro-oct-2-ynamide
  参考文献：
  名称：

  Determination of Prefracture Physical Function in Community-Dwelling People Who Fracture Their Hip

  摘要：

  Background, Prefracture physical function must be accurately determined to set appropriate and attainable goals for rehabilitation following hip fracture. This is especially important for people who were living independently prior to their fracture. This study determines reliability and internal consistency of a prefracture physical function questionnaire (PFPFQ) completed by both patients and knowledgeable informants (KIs).Methods. A 20-item PFPFQ, including ambulation, transfers, balance, and self-care domains, was developed using focus groups. Community-dwelling patients with a hip fracture (N = 40, 77.9 +/- 8 years) completed the PFPFQ on two occasions during postoperative acute care. Forty KIs were identified by the patients and also completed the PFPFQ on two occasions via telephone interview. Day-to-day reliability of the patients and KIs [intraclass correlation coefficients (ICC)], and internal consistency [Kuder-Richardson coefficient (KR)] of the PFPFQ were determined.Results. Intrarater reliability was high with ICCs (95% confidence interval) of 0.94 (0.89, 0.96) for patients and 0.96 (0.93, 0.98) for KIs. Interrater reliability on occasion 1 had an ICC of 0.81 (0.69, 0.88). Internal consistency of the patient responses on the first occasion was high (KR coefficient = 0.896).Conclusions. The PFPFQ is a reliable and internally consistent instrument for determining prefracture physical function in community-dwelling people who fracture their hip. In situations where patients with a hip fracture are unable to provide this necessary information, KIs can provide reliable estimates of prefracture function to assist in setting appropriate rehabilitation goals.

  DOI：

  10.1093/gerona/55.11.m698
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 硫酸 、 水 作用下， 生成 辛-2-炔酰胺
  参考文献：
  名称：

  Moureu; Lazennec, Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, 1906, vol. 142, p. 212

  摘要：

  DOI：

文献信息

• Hydroxyl Group-Assisted Palladium-Catalyzed Lactonization of Homoallylic Alcohols
  作者：Liangbin Huang、Qian Wang、Wanqing Wu、Huanfeng Jiang

  DOI：10.1002/cctc.201300903

  日期：2014.2

  of α‐methylene‐γ‐lactones through the palladium(II)‐catalyzed lactonization of homoallylic alcohols with alkynamides has been reported. The hydroxyl group in the terminal olefins cooperates with the amide in alkynamides to promote the cyclization by suppressing the β‐H elimination. This process provides a route to construct naturally occurring biologically multifunctional α‐methylene‐γ‐lactones.

  据报道，通过钯（II）催化均烯丙基醇与炔酰胺的内酯化，可以方便高效地合成α-亚甲基-γ-内酯。末端烯烃中的羟基与炔基酰胺中的酰胺协同作用，通过抑制β-H的消除来促进环化。该过程提供了构建天然存在的生物多功能α-亚甲基-γ-内酯的途径。
• ARYLPROPIONAMIDE, ARYLACRYLAMIDE, ARYLPROPYNAMIDE, OR ARYLMETHYLUREA ANALOGS AS FACTOR XIA INHIBITORS
  申请人：Pinto Donald J.P.

  公开号：US20100016316A1

  公开（公告）日：2010-01-21

  The present invention provides compounds of Formula (I) or (II): or a stereoisomer, tautomer, pharmaceutically acceptable salt or solvate form thereof, wherein the variables A, L 1 , R 3 , R 4 , R 8a , R 11 and M are as defined herein. The compounds of Formula (I) or (II) are selective inhibitors of serine protease enzymes of the coagulation cascade and/or contact activation system; for example thrombin, factor Xa, factor XIa, factor IXa, factor VIIa and/or plasma kallikrein. In particular, it relates to compounds that are selective factor XIa inhibitors or dual inhibitors of fXIa and plasma kallikrein. This invention also relates to pharmaceutical compositions comprising these compounds and methods of treating thromboembolic and/or inflammatory disorders using the same.

  本发明提供了化合物的结构式（I）或（II）： 或其立体异构体、互变异构体、药学上可接受的盐或溶剂形式，其中变量A、L1、R3、R4、R8a、R11和M如本文所定义。结构式（I）或（II）的化合物是凝血级联和/或接触激活系统的丝氨酸蛋白酶酶的选择性抑制剂；例如凝血酶、Xa因子、XIa因子、IXa因子、VIIa因子和/或血浆激肽。具体而言，涉及选择性XIa因子抑制剂或fXIa和血浆激肽的双重抑制剂的化合物。本发明还涉及包含这些化合物的药物组合物以及使用它们治疗血栓栓塞和/或炎症性疾病的方法。
• [EN] MODULATORS OF CASPASE-6<br/>[FR] MODULATEURS DE CASPASE 6
  申请人：UNIV BRITISH COLUMBIA

  公开号：WO2016020732A1

  公开（公告）日：2016-02-11

  The current application relates to a pharmaceutical composition for the treatment or amelioration of a neurological disease, wherein the composition comprises a therapeutically effective amount of a caspase-6 inhibitor which is an arylpropynamide derivative. The composition can be formulated for oral or topical administration, subcutaneous, intravenous, or intramuscular injection, infusion, inhalation, or intrthecal injection.

  目前的申请涉及一种用于治疗或改善神经系统疾病的药物组合物，其中该组合物包括治疗有效量的一种caspase-6抑制剂，该抑制剂是一种芳基丙炔酰胺衍生物。该组合物可以制成口服或局部给药、皮下、静脉或肌肉注射、输液、吸入或脑脊液注射剂。
• Switch of Selectivity in the Synthesis of α-Methylene-γ-Lactones: Palladium-Catalyzed Intermolecular Carboesterification of Alkenes with Alkynes
  作者：Liangbin Huang、Qian Wang、Xiaohang Liu、Huanfeng Jiang

  DOI：10.1002/anie.201109141

  日期：2012.6.4

  Three in one: A highly efficient and mild PdII‐catalyzed carboesterification of alkenes with carboxylic alkyne derivatives proceeds through a domino‐type alkyne–alkene coupling/CO‐bond formation (see scheme). The stereoselectivity is controlled by the choice of substrates and temperature. The reaction provides a convenient method for the construction of naturally occurring biologically active compounds

  三合一：高效，温和的Pd II催化的烯烃与羧基炔烃衍生物的碳酯化反应通过多米诺型炔烃-烯烃偶联/ CO键形成（参见方案）进行。立体选择性是通过选择底物和温度来控制的。该反应为构建具有α-亚甲基-γ-内酯骨架的天然生物活性化合物提供了便利的方法。
• Palladium/Copper Bimetallic System-Mediated Cross-Coupling of Alkynes and Alkenes: Two Strategies to Suppress β-H Elimination on Alkyl-Palladium Center
  作者：Liangbin Huang、Qian Wang、Wanqing Wu、Huanfeng Jiang

  DOI：10.1002/adsc.201400007

  日期：2014.6.16

  efficient strategies to suppress β‐H elimination during the palladium/copper bimetallic system‐mediated cross‐coupling between alkynamides and alkenes. Remote donor groups with the terminal olefins, such as toluenesulfonamide, phosphate, sulfone, etc., cooperate with the amide of alkynamides and chelate the palladium active center, to promote C(sp3)O bond formation by suppressing the β‐H elimination

  本文介绍了两种有效的策略来抑制炔/酰胺与烯烃之间的钯/铜双金属系统介导的交叉偶联过程中的β-H消除。带有末端烯烃的远端供体基团，例如甲苯磺酰胺，磷酸酯，砜等，与炔基酰胺的酰胺配合并螯合钯活性中心，通过抑制β-H的消除促进C（sp 3）O键的形成。另一个策略使用的降冰片烯的刚性结构，使中间没有顺-β-氢实现的C的还原消除 Cl键。