N-heptyl-2,4-dihydroxy-3,3-dimethylbutyramide | 43180-77-4

• 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-heptyl-2,4-dihydroxy-3,3-dimethylbutyramide
• 英文别名: N-heptyl-pantamide；N-Pantoyl-heptylamin；2.4-Dihydroxy-3.3-dimethyl-buttersaeure-heptylamid；N-Heptyl-pantamid；N-heptyl-2,4-dihydroxy-3,3-dimethylbutanamide
• CAS: 43180-77-4
• 化学式: C₁₃H₂₇NO₃
• 分子量: 245.362
• InChiKey: UZVRKSPKGBFNCX-UHFFFAOYSA-N

物化性质

• 沸点：
  451.0±35.0 °C(Predicted)
• 密度：
  1.003±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  17
• 可旋转键数：
  9
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  69.6
• 氢给体数：
  3
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  N-heptyl-2,4-dihydroxy-3,3-dimethylbutyramide 在 对甲苯磺酸 作用下， 以 二乙二醇二甲醚 为溶剂， 反应 15.08h， 生成 1-cyclohexyl-3-hydroxy-4,4-dimethylpyrrolidin-2-one
  参考文献：
  名称：

  One-pot synthesis of N-substituted pantolactams from pantolactone

  摘要：

  Rac-N-substituted pantolactams (5) are readily obtained in medium to good yields by reaction of rac-pantolactone (1) with primary amines under acid catalysis, whether at 250degreesC in a pressure reactor or under microwave irradiation. It appears that the amine can react with pantolactone at the carbonyl carbon atom to give a hydroxyamide (3) in a reversible way and at the methylene carbon atom to give a gamma-amino acid (4). The last one on dehydration would give the corresponding pantolactam (5). (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4020(03)00156-x
• 作为产物：
  描述：

  庚胺 、 DL-泛酰内酯 生成 N-heptyl-2,4-dihydroxy-3,3-dimethylbutyramide
  参考文献：
  名称：

  Shive; Snell, Journal of Biological Chemistry, 1945, vol. 160, p. 287

  摘要：

  DOI：

文献信息

• Nu-substituted pantoyl amides
  申请人：RESEARCH CORP

  公开号：US02446615A1

  公开（公告）日：1948-08-10
• Site-Specific Labeling Methods and Molecules Produced Thereby
  申请人：GEIERSTANGER Bernhard Hubert

  公开号：US20140065171A1

  公开（公告）日：2014-03-06

  The present invention provides methods of site-specific labeling of antibodies, using proteins having 4′-phosphopantetheinyl transferase activity that catalyze post-translational modification of peptide sequences (“peptide tags”) incorporated into one or more specific sites of an antibody of interest. Enzymatic labeling enables quantitative and irreversible covalent modification of a specific serine residue within the peptide tags incorporated into the antibody, and thus creates desirable antibody conjugates.
• SITE-SPECIFIC LABELING METHODS AND MOLECULES PRODUCED THEREBY
  申请人：Geierstanger Bernhard Hubert

  公开号：US20150104468A1

  公开（公告）日：2015-04-16

  The present disclosure provides methods of site-specific labeling of antibodies, using proteins having 4′-phosphopantetheinyl transferase activity that catalyze post-translational modification of peptide sequences (“peptide tags”) incorporated into one or more specific sites of an antibody of interest. Enzymatic labeling enables quantitative and irreversible covalent modification of a specific serine residue within the peptide tags incorporated into the antibody, and thus creates desirable antibody conjugates.
• US9585970B2
  申请人：——

  公开号：US9585970B2

  公开（公告）日：2017-03-07