12-methoxydodecanoic nitrile | 92030-84-7

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: 12-methoxydodecanoic nitrile
• 英文别名: 12-methoxy-dodecanenitrile；12-Methoxy-dodecannitril；12-methoxydodecanenitrile；12-Methoxy-dodecansaeurenitril；1-Methoxy-11-cyan-undecan
• CAS: 92030-84-7
• 化学式: C₁₃H₂₅NO
• 分子量: 211.348
• InChiKey: WOTFMEWOOSJSJU-UHFFFAOYSA-N

物化性质

• 熔点：
  4 °C
• 沸点：
  152-154 °C(Press: 12 Torr)
• 密度：
  0.8733 g/cm3(Temp: 17 °C)

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  15
• 可旋转键数：
  11
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.92
• 拓扑面积：
  33
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  12-methoxydodecanoic nitrile 在 lithium aluminium tetrahydride 、 水 作用下， 以 四氢呋喃 为溶剂， 以69%的产率得到12-methoxydodecan-1-amine
  参考文献：
  名称：

  [EN] ENZYME INHIBITORS AND THE USE THEREOF
  [FR] INHIBITEURS D'ENZYME ET UTILISATION DE CEUX-CI

  摘要：

  本发明提供了用于治疗疾病或疾病的化合物和方法，如心力衰竭、高脂血症、高胆固醇血症、促性腺激素缺乏、糖尿病、代谢综合征、高血糖、胰岛素抵抗、葡萄糖耐量不良、肥胖、牛皮癣、特应性皮炎和癌症。

  公开号：

  WO2010008473A1
• 作为产物：
  描述：

  2-methoxycyclododecan-1-one O-acetyl oxime 在 三氟甲磺酸三甲基硅酯 三乙基硅烷 作用下， 以 二氯甲烷 为溶剂， 反应 2.0h， 以78%的产率得到12-methoxydodecanoic nitrile
  参考文献：
  名称：

  α-烷氧基环烷酮肟乙酸酯的还原性贝克曼裂解

  摘要：

  在催化量的CF 3 SO 3 SiMe 3存在下，用Et 3 SiH完成标题反应。将反应物施加到的合成（±） -外型-brevicomine。

  DOI：

  10.1016/s0040-4039(00)92387-6

文献信息

• Fatty acid analogs and prodrugs
  申请人：G. D. Searle & Co.

  公开号：US05599947A1

  公开（公告）日：1997-02-04

  Novel derivatives of fatty acid analogs that have from one to three heteroatoms in the fatty acid moiety which can be oxygen, sulfur or nitrogen, are disclosed in which the carboxy-terminus has been modified to form various amides, esters, ketones, alcohols, alcohol esters and nitriles thereof. These compounds are useful as substrates for N-myristoyltransferase (NMT) and/or its acyl coenzyme, and as anti-viral and anti-fungal agents or pro-drugs of such agents. Illustrative of the disclosed compounds are fatty acid amino acid analogs of the structure ##STR1## in which X is the ethyl or t-butyl ester of an amino acid such as Gly, L--Ala, L--Ile, L--Phe, L--Trp, L--Thr or an amide such as NHCH.sub.2 C.sub.6 H.sub.5 or NH(CH.sub.2).sub.2 C.sub.6 H.sub.5,

  脂肪酸类似物的新衍生物，其脂肪酸部分含有一到三个杂原子，可以是氧、硫或氮，其中羧基末端已经被改性以形成各种酰胺、酯、酮、醇、醇酯和腈。这些化合物可用作N-肉豆蔻酰转移酶（NMT）及/或其酰辅酶的底物，以及抗病毒和抗真菌剂或这些剂的前药。所披露的化合物的示例是脂肪酸氨基酸类似物，其结构为##STR1##其中X是氨基酸（如甘氨酸、L-丙氨酸、L-异亮氨酸、L-苯丙氨酸、L-色氨酸、L-苏氨酸）的乙酯或叔丁基酯，或者是NHCH.sub.2 C.sub.6 H.sub.5或NH(CH.sub.2).sub.2 C.sub.6 H.sub.5等酰胺。
• Enzyme Inhibitors and the Use Thereof
  申请人：Middlemiss David

  公开号：US20110230555A1

  公开（公告）日：2011-09-22

  The present invention provides compounds and methods for the treatment of diseases or disorders such as heart failure, hyperlipidemia, hypercholesterolemia, gonadotropin deficiency, diabetes mellitus, metabolic syndrome, hyperglycemia, insulin resistance, glucose intolerance, obesity, psoriasis, atopic dermatitis, and cancer.

  本发明提供了化合物和方法，用于治疗疾病或疾病，如心力衰竭，高脂血症，高胆固醇血症，促性腺激素缺乏症，糖尿病，代谢综合征，高血糖，胰岛素抵抗，葡萄糖不耐受，肥胖症，银屑病，特应性皮炎和癌症。
• Samochwalow et al., Doklady Akademii Nauk SSSR, 1952, vol. 84, p. 729,731
  作者：Samochwalow et al.

  DOI：——

  日期：——
• 2-Alkyl-substituted histamines and hydroxyethylimidazoles with G-protein-stimulatory activity
  作者：H Detert、C Leschke、W Tögel、R Seifert、W Schunacki

  DOI：10.1016/0223-5234(96)89166-5

  日期：1996.1

  Cationic-amphiphilic 2-substituted histamines activate pertussis toxin-sensitive guanine nucleotide-binding proteins (G-proteins) by a receptor-independent mechanism. From our recent studies it became apparent that lipophilicity is an important determinant for this G-protein activation, but the influence of basicity remained unknown. We prepared seven novel 2-alkyl-substituted histamines and five novel 2-alkyl-substituted hydroxyethylimidazoles and studied their effects on high-affinity guanosine triphosphate (GTP) hydrolysis in membranes of the human leukemia cell line, HL-60. 2-Octylhistamine was found to be the most effective GTPase activator among 2-substituted histamines presently available (150% stimulation above basal), and 2-tetradecylhistamine is the most potent substance in this regard (pEC(50) = 5.9). Branching of the alkyl chain and the introduction of an ether group adversely affected GTPase activation. Compared to a phenyl ring, a bulky adamantyl sphere enhanced G-protein-stimulatory activity. In the case of 2-(3-bromophenyl)histamine, 2-adamantylhistamine and 2-(3-phenylpropyl)histamine, replacement of the aminoethyl group by a hydroxyethyl group at the imidazole greatly reduced GTPase-activating properties, pointing to the importance of the basic domain in the activation process. Unexpectedly, however, in the case of a very lipophilic substituent (heptadecyl chain) the exchange of the aminoethyl group by a hydroxyethyl group had no substantial inhibitory effect, indicating that the presence of a primary amine is not a conditio sine qua non for a substance being a receptor-independent G-protein activator. Concerning histamine H-1-receptors the newly prepared compounds proved to be weak antagonists.
• ENZYME INHIBITORS AND THE USE THEREOF
  申请人：Dara Biosciences, Inc.

  公开号：EP2309859A1

  公开（公告）日：2011-04-20