3-丙基己酸 | 25110-61-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 3-丙基己酸
• 英文名称: 3-Propyl-hexansaeure
• 英文别名: 3-N-Propyl-hexancarbonsaeure；3-n-Propyl-hexan-saeure；3-propyl-hexanoic acid；3-n-propyl-hexanoic acid；3-Propylhexanoic acid
• CAS: 25110-61-6
• 化学式: C₉H₁₈O₂
• mdl: MFCD01723298
• 分子量: 158.241
• InChiKey: VSWVHHCWUCZFBB-UHFFFAOYSA-N

物化性质

• 沸点：
  144 °C(Press: 20 Torr)
• 密度：
  0.919±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  11
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.888
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

安全信息

• 海关编码：
  2915900090
• 包装等级：
  III
• 危险类别：
  8
• 危险性防范说明：
  P261,P264,P271,P280,P302+P352,P304+P340,P305+P351+P338,P310,P332+P313,P362,P403+P233,P405,P501
• 危险品运输编号：
  3265
• 危险性描述：
  H315,H318,H335

反应信息

• 作为反应物：
  描述：

  3-丙基己酸 在 氯化亚砜 作用下， 生成 2-propyl-hexanoyl chloride
  参考文献：
  名称：

  Sommaire, Bulletin de la Societe Chimique de France, 1923, vol. <4> 33, p. 195

  摘要：

  DOI：
• 作为产物：
  描述：

  4-庚酮 在 palladium on activated charcoal 甲酸 、 氢气 、 sodium carbonate 、 锌 作用下， 以 甲醇 、 苯 为溶剂， 反应 4.5h， 生成 3-丙基己酸
  参考文献：
  名称：

  Recherches sur les substances mesomorphes—IX

  摘要：

  DOI：

  10.1016/s0040-4020(01)92352-x

文献信息

• Acetic acid derivatives having pharmacological activity and compositions
  申请人：Labaz

  公开号：US04025649A1

  公开（公告）日：1977-05-24

  Acetic acid derivatives of the formula: ##STR1## and pharmaceutically acceptable alkali metal salts thereof, wherein R represents the radical ##STR2## in which R.sub.1 and R.sub.2, which may be the same or different, each represent an alkyl radical having from 1 to 4 carbon atoms, R.sub.3 represents a hydrogen atom or a methyl radical and n is an integer in the range of from 0 to 3 inclusive. They possess a competitive inhibitory activity with respect to .gamma.-aminobutyric .alpha.-ketoglutaric transaminase as well as antianoxic and anticonvulsant properties and they are useful for treating central neurological disorders whether resulting or not from cerebral ischemia.

  乙酸衍生物的化学式为：##STR1##及其在药学上可接受的碱金属盐，其中R代表基团##STR2##其中R.sub.1和R.sub.2，可以相同也可以不同，每个代表具有1至4个碳原子的烷基基团，R.sub.3代表氢原子或甲基基团，n是在0至3范围内的整数。它们具有相对于γ-氨基丁酸α-酮戊二酸转氨酶的竞争性抑制活性，以及抗缺氧和抗抽搐特性，可用于治疗中枢神经系统疾病，无论是由脑缺血引起还是其他原因。
• Thienopyrimidine and Thienopyridine Derivatives Substituted with Cyclic Amino Group
  申请人：Nakazato Atsuro

  公开号：US20070254898A1

  公开（公告）日：2007-11-01

  [Problem to be Solved] An object of the present invention is to provide an antagonist against CRF receptors which is effective as a therapeutic or prophylactic agent for diseases in which CRF is considered to be involved, such as depression, anxiety, Alzheimer's disease, Parkinson's disease, Huntington's chorea, eating disorder, hypertension, gastral diseases, drug dependence, epilepsy, cerebral infarction, cerebral ischemia, cerebral edema, cephalic external wound, inflammation, immunity-related diseases, alpecia, irritable bowel syndrome, sleep disorders, epilepsy, dermatitides, schizophrenia, etc. [Solution] A thienopyrimidine or thienopyridine derivative substituted with a cyclic amino group represented by the following formula [I]: has a high affinity for CRF receptors and is effective against diseases in which CRF is considered to be involved.

  【待解决的问题】本发明的目的是提供一种针对CRF受体的拮抗剂，其作为治疗或预防代理，对CRF参与的疾病具有有效性，例如抑郁症、焦虑症、阿尔茨海默病、帕金森病、亨廷顿舞蹈症、进食障碍、高血压、胃肠疾病、药物依赖、癫痫、脑梗塞、脑缺血、脑水肿、头部外伤、炎症、免疫相关疾病、脱发、肠易激综合症、睡眠障碍、癫痫、皮炎、精神分裂症等。 【解决方案】一种噻唑嘧啶或噻唑吡啶衍生物，其被一个以下式[I]所代表的环状氨基团置换，具有高亲和力的CRF受体，对CRF参与的疾病具有有效性。
• INSOLUBLE INSULIN COMPOSITIONS
  申请人：ELI LILLY AND COMPANY

  公开号：EP0911035A2

  公开（公告）日：1999-04-28

  The present invention relates to insoluble compositions containing acylated proteins selected from the group consisting of acylated insulin, acylated insulin analog, and acylated proinsulin, and formulations thereof. The formulations are suitable for parenteral delivery or other means of delivery, to a patient for extended control of blood glucose levels. More particularly, the present invention relates to compositions comprised of an acylated protein complexed with zinc, protamine, and a phenolic compound such that the resulting microcrystal is analogous to the neutral protamine Hagedorn (NPH) insulin crystal form. Surprisingly, it has been discovered that compositions of such acylated proteins have therapeutically superior subcutaneous release pharmacokinetics, and more extended and flatter glucodynamics, than presently available commercial preparations of NPH insulin. Yet, the present crystals retain certain advantageous properties of NPH crystals, being readily able to be resuspended and also mixable with soluble insulins.

  本发明涉及含有选自由酰化胰岛素、酰化胰岛素类似物和酰化原胰岛素组成的组中的酰化蛋白质的不溶性组合物及其制剂。这些制剂适用于肠道外给药或以其他方式给药，以延长对患者血糖水平的控制。更具体地说，本发明涉及一种由酰化蛋白质与锌、原胺和酚类化合物络合而成的组合物，由此产生的微晶类似于中性原胺哈格多恩（NPH）胰岛素晶型。令人惊奇的是，人们发现这种酰化蛋白质的组合物与目前市售的 NPH 胰岛素商业制剂相比，具有更优越的皮下释放药代动力学和更持久、更平稳的血糖动力学。然而，目前的晶体仍保留了 NPH 晶体的某些有利特性，易于重新悬浮，也可与可溶性胰岛素混合。
• Insoluble compositions for controlling blood glucose
  申请人：ELI LILLY AND COMPANY

  公开号：EP0925792A2

  公开（公告）日：1999-06-30

  The present invention relates to insoluble compositions comprising a protein selected from the group consisting of insulin, insulin analogs, and proinsulins; a derivatized protein selected from the group consisting of derivatized insulin, derivatized insulin analog, and derivatized proinsulin; a complexing compound; a hexamer-stabilizing compound; and a divalent metal cation. Formulations of the insoluble composition are suitable for both parenteral and non-parenteral delivery for treating hyperglycemia and diabetes. Microcrystal forms of the insoluble precipitate are pharmaceutically analogous to the neutral protamine Hagedorn (NPH) insulin crystal form. Surprisingly, it has been discovered that suspension formulations of such insoluble compositions possess unique and controllable dissolution properties that provide therapeutically advantageous glucodynamics compared with insulin NPH formulations.

  本发明涉及不溶性组合物，该组合物包含选自由胰岛素、胰岛素类似物和原胰岛素组成的组的蛋白质；选自由衍生化胰岛素、衍生化胰岛素类似物和衍生化原胰岛素组成的组的衍生化蛋白质；复合物；六聚体稳定化合物；以及二价金属阳离子。不溶性组合物的制剂既适用于肠道外给药，也适用于治疗高血糖和糖尿病的非肠道外给药。不溶性沉淀物的微晶形式在药学上类似于中性原明哈格登（NPH）胰岛素晶体形式。令人惊奇的是，人们发现这种不溶性组合物的悬浮制剂具有独特的可控溶解特性，与 NPH 胰岛素制剂相比，这种悬浮制剂具有治疗上有利的血糖动力学特性。
• Insoluble Insulin Compositions for Controlling Blood Glucose
  申请人：Eli Lilly & Company

  公开号：EP1396272A1

  公开（公告）日：2004-03-10

  The present invention relates to insoluble compositions comprising a protein selected from the group consisting of insulin, insulin analogs, and proinsulins; a derivatized protein selected from the group consisting of derivatized insulin, derivatized insulin analog, and derivatized proinsulin; a complexing compound; a hexamer-stabilizing compound; and a divalent metal cation. Formulations of the insoluble composition are suitable for both parenteral and non-parenteral delivery for treating hyperglycemia and diabetes. Microcrystal forms of the insoluble precipitate are pharmaceutically analogous to the neutral protamine Hagedorn (NPH) insulin crystal form. Surprisingly, it has been discovered that suspension formulations of such insoluble compositions possess unique and controllable dissolution properties that provide therapeutically advantageous glucodynamics compared with insulin NPH formulations.

  本发明涉及不溶性组合物，该组合物包含选自由胰岛素、胰岛素类似物和原胰岛素组成的组的蛋白质；选自由衍生化胰岛素、衍生化胰岛素类似物和衍生化原胰岛素组成的组的衍生化蛋白质；复合物；六聚体稳定化合物；以及二价金属阳离子。不溶性组合物的制剂既适用于肠道外给药，也适用于治疗高血糖和糖尿病的非肠道外给药。不溶性沉淀物的微晶形式在药学上类似于中性原明哈格登（NPH）胰岛素晶体形式。令人惊奇的是，人们发现这种不溶性组合物的悬浮制剂具有独特的可控溶解特性，与 NPH 胰岛素制剂相比，这种悬浮制剂具有治疗上有利的血糖动力学特性。