1-(2-氨基-乙基)-环己醇 | 39884-50-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 1-(2-氨基-乙基)-环己醇
• 英文名称: 1-(2-aminoethyl)cyclohexanol
• 英文别名: 1-(2-aminoethyl)cyclohexan-1-ol
• CAS: 39884-50-9
• 化学式: C₈H₁₇NO
• 分子量: 143.229
• InChiKey: HNRPKAVJEIUVQK-UHFFFAOYSA-N

物化性质

• 沸点：
  120 °C(Press: 17 Torr)
• 密度：
  1.000±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  10
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  46.2
• 氢给体数：
  2
• 氢受体数：
  2

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2922199090

反应信息

• 作为反应物：
  描述：

  1-(2-氨基-乙基)-环己醇 在 sodium hydroxide 、 potassium carbonate 、 三乙胺 作用下， 以 甲醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 57.5h， 生成 Methyl 4-[3-[3-[2-(1-Hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl]benzoate
  参考文献：
  名称：

  Prostaglandin isosteres. 2. Chain-modified thiazolidinone prostaglandin analogs as renal vasodilators

  摘要：

  Chain modification of a thiazolidinone prostaglandin isostere has led to the production of 4-[3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl] benzoic acid (5b) which at 1 mg/kg po in the conscious dog causes a 70% increase in renal blood flow over control values with a duration of action exceeding 5 h. Preliminary testing indicates that 5b has a relatively specific action on the vasculature of the kidney. The enantiomers of 5b have been separated and the renal vasodilatory activity has been found to be entirely a property of the R-(+) enantiomer.

  DOI：

  10.1021/jm00357a006
• 作为产物：
  描述：

  l-羟基环己烷乙酸乙酯 生成 1-(2-氨基-乙基)-环己醇
  参考文献：
  名称：

  Synthesis and Reactions of Glycidonitriles. Transformation into α-Haloacyl Compounds and Aminoalcohols

  摘要：

  DOI：

  10.1021/ja01501a048
• 作为试剂：
  描述：

  4-(3-甲酰基丙基)苯甲酸乙酯 、 1-(2-氨基-乙基)-环己醇 在 1-(2-氨基-乙基)-环己醇 作用下， 以45的产率得到ethyl 4-{3-[3-[2-(1-hydroxycyclohexyl)ethyl]-4-oxo-2-thiazolidinyl]propyl}benzoate
  参考文献：
  名称：

  J. Med. Chem. 1983, 26, 342-348

  摘要：

  DOI：

文献信息

• Interphenylene 9-thia-11-oxo-12-aza-prostanoic acids
  申请人：Merck & Co., Inc.

  公开号：US04225609A1

  公开（公告）日：1980-09-30

  This invention relates to novel interphenylene 9-thia-11-oxo-12-azaprostanoic acid compounds, salts, and derivatives thereof. These compounds are exceptionally potent renal vasodilators and antihypertensives which are active when administered orally but which have a more specific type of biological activity than that of many of the natural prostaglandins and their synthetic analogs or derivatives.

  这项发明涉及新型的间苯二酚9-硫-11-酮-12-氮代前列腺酸化合物、盐和衍生物。这些化合物在口服后表现出异常强大的肾脏扩血管作用和降压作用，但其生物活性比许多天然前列腺素及其合成类似物或衍生物具有更特定的类型。
• Benzimidazole derivatives
  申请人：——

  公开号：US20040044056A1

  公开（公告）日：2004-03-04

  This invention relates to the compounds represented by a general formula [I]: 1 [in which A 1 and A 2 represent optionally fluorine-substituted methine or the like; B represents halogen, cyano, lower alkyl or the like; D represents optionally substituted heterocyclic group or the like; and G represents C 3 -C 20 aliphatic group such as alicyclic group]. These compounds inhibit nociceptin activities due to their high affinity to nociceptin receptor, and are useful as analgesic, antiobestic, corebral function improver, drugs for treatment of alzheimer's disease and dementia, remedies for schizophrenia and neurodegenerative diseases, antidepressant, remedies for diabetes insipidus, polyuria, hypotension and so on.

  本发明涉及由一般式[I]表示的化合物：1[其中，A1和A2表示选择性氟代甲基或类似物；B表示卤素，氰基，低碳烷基或类似物；D表示选择性取代的杂环基团或类似物；G表示C3-C20脂肪族基团，例如脂环族基团]。这些化合物由于对痛觉受体具有高亲和力而抑制了痛觉肽活性，并且可用作镇痛剂，抗肥胖剂，脑功能改善剂，治疗阿尔茨海默病和痴呆症的药物，治疗精神分裂症和神经退行性疾病的药物，抗抑郁剂，治疗尿崩症，多尿症，低血压等的药物。
• New Generation of sGC Stimulators: Discovery of Imidazo[1,2-<i>a</i>]pyridine Carboxamide BAY 1165747 (BAY-747), a Long-Acting Soluble Guanylate Cyclase Stimulator for the Treatment of Resistant Hypertension
  作者：Alexandros Vakalopoulos、Frank Wunder、Ingo V. Hartung、Gorden Redlich、Rolf Jautelat、Philipp Buchgraber、Jorma Hassfeld、Alexey V. Gromov、Niels Lindner、Donald Bierer、Jörg Gries、Walter Kroh、Holger Paulsen、Joachim Mittendorf、Dieter Lang、Eva Becker-Pelster、Damian Brockschnieder、Volker Geiss、Volkhart Li、Alexander Straub、Andreas Knorr、Thomas Mondritzki、Hubert Trübel、Marian Raschke、Martina Schaefer、Dirk Thomas、Peter Sandner、Johannes-Peter Stasch、Markus Follmann

  DOI：10.1021/acs.jmedchem.2c02082

  日期：2023.6.8

  ultrahigh-throughput (uHTS)-based discovery of a new class of sGC stimulators from an imidazo[1,2-a]pyridine lead series. Through the extensive and staggered optimization of the initial screening hit, liabilities such as potency, metabolic stability, permeation, and solubility could be substantially improved in parallel. These efforts resulted ultimately in the discovery of the new sGC stimulators 22 and

  在此，我们描述了新型可溶性鸟苷酸环化酶（sGC）刺激剂的鉴定、化学优化和临床前表征。鉴于 sGC 刺激剂具有非常广泛的治疗机会，未来将需要针对具有特定药代动力学、组织分布和理化特性的不同适应症的新定制分子。在这里，我们报告了基于超高通量 (uHTS) 从咪唑并[1,2- a ]吡啶先导系列中发现的一类新型 sGC 刺激剂。通过对初始筛选目标进行广泛和交错的优化，效力、代谢稳定性、渗透性和溶解度等特性可以同时得到显着改善。这些努力最终导致了新的 sGC 刺激器的发现22和28。事实证明，BAY 1165747 (BAY-747, 28 ) 可能是高血压患者的理想治疗替代方案，尤其是那些对标准抗高血压治疗（难治性高血压）没有反应的患者。BAY-747 ( 28 ) 在 1 期研究中证明了长达 24 小时的持续血流动力学效应。
• 9-Thia-12-azaprostanoic acid derivatives and compositions containing them
  申请人：Merck & Co., Inc.

  公开号：EP0001900A1

  公开（公告）日：1979-05-16

  This invention provides novel interphenylene 9- this-11-oxo- 12-azaprostanoic acid compounds and salts and other derivatives thereof. These compounds are exceptionally potent renal vasodilators and antihypertensives which are active when administered orally but which have a more specific type of bilogical activity than that of many of the natural prostaglandins and their synthetic analogs or derivatives. They are therefore made into pharmaceutical compositions. The compounds have the formula : where R is caboxy or a carboxy ester or amide. A is a monocyclic ring, n is 3 or 4; m is 0.1 or 2; R'is hydrogen, deuterium, or methyl, Z ic a C2-3 chain, R2 is hydrogen or alkenoyl, R3 is hydrogen or alkyl and R4 is an optionally substituted aliphatic I hydrocarbon radical or R3 and R4 form a ring. Certain of the above definitions are broader than those in the specification.

  本发明提供了新型间苯 9-本-11-氧代-12-氮杂前列腺酸化合物及其盐和其他衍生物。这些化合物是非常有效的肾血管扩张剂和抗高血压药，口服时具有活性，但与许多天然前列腺素及其合成类似物或衍生物相比，它们具有更特殊的生物活性。因此，它们被制成药物组合物。 这些化合物的化学式为 其中 R 为卡巴氧或羧基酯或酰胺。A 是单环，n 是 3 或 4；m 是 0.1 或 2；R'是氢、氘或甲基，Z ic 是 C2-3 链，R2 是氢或烯酰基，R3 是氢或烷基，R4 是任选取代的脂族 I 烃基或 R3 和 R4 形成一个环。上述某些定义比说明书中的定义更宽泛。
• BENZIMIDAZOLE DERIVATIVES
  申请人：BANYU PHARMACEUTICAL CO., LTD.

  公开号：EP1342717A1

  公开（公告）日：2003-09-10

  This invention relates to the compounds represented by a general formula [I]:    [in which A1 and A2 represent optionally fluorine-substituted methine or the like; B represents halogen, cyano, lower alkyl or the like; D represents optionally substituted heterocyclic group or the like; and G represents C3-C20 aliphatic group such as alicyclic group]. These compounds inhibit nociceptin activities due to their high affinity to nociceptin receptor, and are useful as analgesic, antiobestic, corebral function improver, drugs for treatment of alzheimer's disease and dementia, remedies for schizophrenia and neurodegenerative diseases, antidepressant, remedies for diabetes insipidus, polyuria, hypotension and so on.

  本发明涉及通式[I]所代表的化合物： [其中 A1 和 A2 代表任选氟取代的甲基或类似物；B 代表卤素、氰基、低级烷基或类似物；D 代表任选取代的杂环基团或类似物；G 代表 C3-C20 脂肪族基团，例如脂环族基团]。这些化合物由于与痛觉素受体的高亲和力而抑制痛觉素的活性，可用作镇痛剂、抗镇静剂、改善大脑核心功能的药物、治疗老年痴呆症和痴呆症的药物、治疗精神分裂症和神经退行性疾病的药物、抗抑郁剂、治疗糖尿病、多尿、低血压等。