Di-butyl-N,N-dimethyl-L-aspartat | 2885-11-2

• 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
• 英文名称: Di-butyl-N,N-dimethyl-L-aspartat
• 英文别名: Di-n-Butyl-L-(+)-aspartat；Aspartic acid, dibutyl ester；dibutyl (2S)-2-aminobutanedioate
• CAS: 2885-11-2；131723-77-8
• 化学式: C₁₂H₂₃NO₄
• 分子量: 245.319
• InChiKey: MMJGQHYROJTOHX-JTQLQIEISA-N

物化性质

• 沸点：
  327.2±27.0 °C(Predicted)
• 密度：
  1.032±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  17
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.83
• 拓扑面积：
  78.6
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2922499990

反应信息

• 作为反应物：
  描述：

  Di-butyl-N,N-dimethyl-L-aspartat 在 lithium aluminium tetrahydride 作用下， 以 四氢呋喃 为溶剂， 生成 (2S)-aminobutan-1,4-diol
  参考文献：
  名称：

  潜在的抗辐射药物。3.2-氨基-2-烷基-1，3-丙二硫醇和3-氨基-4-巯基-1-丁醇。

  摘要：

  DOI：

  10.1021/jm00322a026
• 作为产物：
  描述：

  L-天门冬氨酸 、 正丁醇 在 盐酸 作用下， 生成 Di-butyl-N,N-dimethyl-L-aspartat
  参考文献：
  名称：

  潜在的抗辐射药物。3.2-氨基-2-烷基-1，3-丙二硫醇和3-氨基-4-巯基-1-丁醇。

  摘要：

  DOI：

  10.1021/jm00322a026

文献信息

• Lysyl-aspartic acid derivatives as model compounds of growth hormone to induce lipolysis.
  作者：Akio IDE、Nobuyuki YAMASAKI、Hiroshi MASUNO、Hiromichi OKUDA

  DOI：10.1271/bbb1961.52.765

  日期：——

  The effects of derivatives containing Lys-Asp sequences on growth-hormone-mediated lipolysis were examined for fat cells isolated from rat epididymal adipose tissue. A dipeptide, Lys-Asp, had a weak but distinct ability to induce lipolysis and inhibit growth-hormone-mediated lipolysis. Among the derivatives tested, Lys(Z)-Asp(OEt)-OEt (6d), Lys(Z)-Asp(OC4H9)-OC4H9 (6e), Lys(Z)-Asp(OC8H17)-OC8H17 (6f), C7H15CO-Lys(Z)-Asp (4b), and C15H31CO-Lys(Z)-Asp (4c) had a fairly high lipolytic activity. The derivatives 6e, 6d and 4c inhibited growthhormone-mediated lipolysis. A derivative, C15H31CO-Lys-Asp(OMe)-OMe (3c), had no lipolytic activity but strongly inhibited for growth-hormone-mediated lipolysis. It is suggested that charge groups in the Lys-Asp derivatives are responsible for lipolytic action and the hydrophobic hydrocarbon chains in the derivatives enhance the ability to induce lipolysis or inhibit the gorwthhormone-mediated lipolysis.

  研究人员对从大鼠附睾脂肪组织中分离出来的脂肪细胞进行了检测，发现含有Lys-Asp序列的衍生物对生长激素介导的脂肪分解有影响。一种二肽 Lys-Asp 具有微弱但明显的诱导脂肪分解和抑制生长激素介导的脂肪分解的能力。在测试的衍生物中，Lys(Z)-Asp(OEt)-OEt（6d）、Lys(Z)-Asp(OC4H9)-OC4H9（6e）、Lys(Z)-Asp(OC8H17)-OC8H17（6f）、C7H15CO-Lys(Z)-Asp（4b）和 C15H31CO-Lys(Z)-Asp（4c）具有相当高的脂肪分解活性。衍生物 6e、6d 和 4c 可抑制生长激素介导的脂肪分解。C15H31CO-Lys-Asp(OMe)-OMe 衍生物（3c）没有脂肪分解活性，但对生长激素介导的脂肪分解有强烈的抑制作用。这表明 Lys-Asp 衍生物中的电荷基团具有脂肪分解作用，而衍生物中的疏水烃链增强了诱导脂肪分解或抑制生长激素介导的脂肪分解的能力。
• SELECTIVE CASPASE INHIBITORS AND USES THEREOF
  申请人：Ahlfors Jan-Eric

  公开号：US20120157394A1

  公开（公告）日：2012-06-21

  The present invention relates to compounds of Formula I, II, IVC, VIIIC, IXC, or XC and their pharmaceutical uses. Particular aspects of the invention relate to the use of those compounds for the selective inhibition of one or more caspases. Also described are methods where the compounds of Formula I, II, IVC, VIIIC, IXC, or XC are used in the prevention and/or treatment of various diseases and conditions in subjects, including caspase-mediated diseases such as sepsis, myocardial infarction, ischemic stroke, spinal cord injury (SCI), traumatic brain injury (TBI) and neurodegenerative disease (e.g. multiple sclerosis (MS) and Alzheimer's, Parkinson's, and Huntington's diseases). Processes for synthesizing tripeptides are provided.

  本发明涉及公式I、II、IVC、VIIIC、IXC或XC化合物及其药物用途。本发明的特定方面涉及使用这些化合物选择性地抑制一个或多个半胱氨酸蛋白酶的用途。还描述了使用公式I、II、IVC、VIIIC、IXC或XC化合物在受试者中预防和/或治疗各种疾病和病状的方法，包括半胱氨酸蛋白酶介导的疾病，如败血症、心肌梗塞、缺血性卒中、脊髓损伤（SCI）、创伤性脑损伤（TBI）和神经退行性疾病（例如多发性硬化症（MS）和阿尔茨海默病、帕金森病和亨廷顿病）。还提供了三肽合成的方法。
• Selective Caspase Inhibitors and Uses Thereof
  申请人：Ahlfors Jan-Eric

  公开号：US20110077190A1

  公开（公告）日：2011-03-31

  The present invention relates to compounds of Formula I, IA, II, HA, III, or IHA and their pharmaceutical uses. Particular aspects of the invention relate to the use of those compounds for the selective inhibition of one or more caspases. Also described are methods where the compounds of Formula I, IA, II, IIA, III, or IIIA are used in the prevention and/or treatment of various diseases and conditions in subjects, including caspase-mediated diseases such as sepsis, myocardial infarction, ischemic stroke, spinal cord injury (SCI), traumatic brain injury (TBI) and neurodegenerative disease (e.g. multiple sclerosis (MS) and Alzheimer's, Parkinson's, and Huntington's diseases).

  本发明涉及公式I，IA，II，HA，III或IHA的化合物及其药物用途。本发明的特定方面涉及使用这些化合物选择性地抑制一个或多个半胱氨酸蛋白酶的用途。还描述了使用公式I，IA，II，IIA，III或IIIA的化合物防治受试者的各种疾病和病况的方法，包括半胱氨酸蛋白酶介导的疾病，如败血症、心肌梗死、缺血性中风、脊髓损伤（SCI）、创伤性脑损伤（TBI）和神经退行性疾病（例如多发性硬化症（MS）和阿尔茨海默病、帕金森病和亨廷顿病）。
• Selective caspase inhibitors and uses thereof
  申请人：Genesis Technologies Limited

  公开号：US10167313B2

  公开（公告）日：2019-01-01

  The present invention relates to compounds of Formula I, IA, II, IIA, III, or IIIA and their pharmaceutical uses. Particular aspects of the invention relate to the use of those compounds for the selective inhibition of one or more caspases. Also described are methods where the compounds of Formula I, IA, II, IIA, III, or IIIA are used in the prevention and/or treatment of various diseases and conditions in subjects, including caspase-mediated diseases such as sepsis, myocardial infarction, ischemic stroke, spinal cord injury (SCI), traumatic brain injury (TBI) and neurodegenerative disease (e.g. multiple sclerosis (MS) and Alzheimer's, Parkinson's, and Huntington's diseases).

  本发明涉及式 I、IA、II、IIA、III 或 IIIA 的化合物及其药物用途。本发明的特定方面涉及这些化合物用于选择性抑制一种或多种 Caspase 的用途。还描述了将式 I、IA、II、IIA、III 或 IIIA 的化合物用于预防和/或治疗受试者的各种疾病和病症的方法，包括由 caspase 介导的疾病，如败血症、心肌梗塞、缺血性中风、脊髓损伤 (SCI)、创伤性脑损伤 (TBI) 和神经退行性疾病（如多发性硬化症 (MS) 和阿尔茨海默氏症、帕金森氏症和亨廷顿氏病）。
• SYNTHESIS OF HYBRID BLOCK COPOLYMERS AND USES THEREOF
  申请人：Intezyne Technologies Incorporated

  公开号：EP1833958A2

  公开（公告）日：2007-09-19