2-(癸基氨基)乙酸 | 20933-56-6

• 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
• 中文名称: 2-(癸基氨基)乙酸
• 英文名称: 2-(decylamino)acetic acid
• 英文别名: N-decylglycine；N-Decylglycin；(+/-)-n-decanylglycine；2-(Decylazaniumyl)acetate
• CAS: 20933-56-6
• 化学式: C₁₂H₂₅NO₂
• 分子量: 215.336
• InChiKey: FXHYAXBIUKRLLT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 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：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  2-(癸基氨基)乙酸 在 亚磷酸 、 苯磺酸 、 三氯化磷 、 水 作用下， 以 水 为溶剂， 反应 21.0h， 以71%的产率得到1-[(n-decylamino)ethyl]-1-hydroxy-1,1-bisphosphonic acid
  参考文献：
  名称：

  New insights into molecular recognition of 1,1-bisphosphonic acids by farnesyl diphosphate synthase

  摘要：

  As part of our project pointed at the search of new antiparasitic agents against American trypanosomiasis (Chagas disease) and toxoplasmosis a series of 2-alkylaminoethyl-1-hydroxy-1,1-bisphosphonic acids has been designed, synthesized and biologically evaluated against the etiologic agents of these parasitic diseases, Trypanosoma cruzi and Toxoplasma gondii, respectively, and also towards their target enzymes, T. cruzi and T. gondii farnesyl pyrophosphate synthase (FPPS), respectively. Surprisingly, while most pharmacologically active bisphosphonates have a hydroxyl group at the C-1 position, the additional presence of an amino group at C-3 resulted in decreased activity towards either T. cruzi cells or TcFPPS. Density functional theory calculations justify this unexpected behavior. Although these compounds were devoid of activity against T. cruzi cells and TcFPPS, they were efficient growth inhibitors of tachyzoites of T. gondii. This activity was associated with a potent inhibition of the enzymatic activity of TgFPPS. Compound 28 arises as a main example of this family of compounds exhibiting an ED50 value of 4.7 mu M against tachyzoites of T. gondii and an IC50 of 0.051 mu M against TgFPPS. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.11.010
• 作为产物：
  描述：

  N-癸基-甘氨酸-苄基酯 在 palladium on activated charcoal 、 氢气 作用下， 以 乙酸乙酯 为溶剂， 20.0 ℃ 、303.99 kPa 条件下， 反应 6.0h， 以67%的产率得到2-(癸基氨基)乙酸
  参考文献：
  名称：

  New insights into molecular recognition of 1,1-bisphosphonic acids by farnesyl diphosphate synthase

  摘要：

  As part of our project pointed at the search of new antiparasitic agents against American trypanosomiasis (Chagas disease) and toxoplasmosis a series of 2-alkylaminoethyl-1-hydroxy-1,1-bisphosphonic acids has been designed, synthesized and biologically evaluated against the etiologic agents of these parasitic diseases, Trypanosoma cruzi and Toxoplasma gondii, respectively, and also towards their target enzymes, T. cruzi and T. gondii farnesyl pyrophosphate synthase (FPPS), respectively. Surprisingly, while most pharmacologically active bisphosphonates have a hydroxyl group at the C-1 position, the additional presence of an amino group at C-3 resulted in decreased activity towards either T. cruzi cells or TcFPPS. Density functional theory calculations justify this unexpected behavior. Although these compounds were devoid of activity against T. cruzi cells and TcFPPS, they were efficient growth inhibitors of tachyzoites of T. gondii. This activity was associated with a potent inhibition of the enzymatic activity of TgFPPS. Compound 28 arises as a main example of this family of compounds exhibiting an ED50 value of 4.7 mu M against tachyzoites of T. gondii and an IC50 of 0.051 mu M against TgFPPS. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2013.11.010

文献信息

• [EN] METABOLICALLY ROBUST ANALOGS OF CYP-EICOSANOIDS FOR THE TREATMENT OF CARDIAC DISEASE<br/>[FR] ANALOGUES ROBUSTES SUR LE PLAN MÉTABOLIQUE DES CYP-EICOSANOÏDES POUR LE TRAITEMENT DES MALADIES CARDIAQUES
  申请人：OMEICOS THERAPEUTICS GMBH

  公开号：WO2017013265A1

  公开（公告）日：2017-01-26

  The present invention relates to compounds according to general formula (I) which are metabolically robust analogues of bioactive lipid mediators derived from omega-3 polyunsaturated fatty acids (n-3 PUFAs).The present invention further relates to compositions containing one or more of these compounds and to the use of these compounds or compositions for the treatment or prevention of cardiovascular diseases.

  本发明涉及符合一般式（I）的化合物，这些化合物是从ω-3多不饱和脂肪酸（n-3 PUFAs）衍生的生物活性脂质介质的代谢稳健类似物。本发明还涉及含有这些化合物中的一个或多个的组合物，以及利用这些化合物或组合物治疗或预防心血管疾病。
• [EN] ANALOGS OF CYP-EICOSANOIDS FOR USE IN TREATING OR PREVENTING A DISORDER ASSOCIATED WITH NEOVASCULARIZATION AND/OR INFLAMMATION<br/>[FR] ANALOGUES DE CYP-ÉICOSANOÏDES POUR UTILISATION DANS LE TRAITEMENT PROPHYLACTIQUE OU THÉRAPEUTIQUE D'UN TROUBLE ASSOCIÉ À UNE NÉOVASCULARISATION ET/OU UNE INFLAMMATION
  申请人：OMEICOS THERAPEUTICS GMBH

  公开号：WO2017168007A1

  公开（公告）日：2017-10-05

  The present invention relates to compounds according to general formula (I) which are metabolically robust analogues of bioactive lipid mediators derived from omega-3 polyunsaturated fatty acids (n-3 PUFAs) for use in treating or reducing the risk of developing or preventing: (i) neovascularization and/or (ii) inflammatory disorder, in particular, ophthalmic disorders associated with neovascularization and/or inflammation.

  本发明涉及符合一般式(I)的化合物，这些化合物是从ω-3多不饱和脂肪酸(n-3 PUFAs)衍生的代谢稳健的生物活性脂质介质的类似物，用于治疗或减少发展或预防：(i) 新生血管生成和/或(ii) 炎症性疾病，特别是与新生血管生成和/或炎症相关的眼科疾病。
• [EN] CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS<br/>[FR] CONJUGUÉS D'UNE MOLÉCULE DE LIAISON CELLULAIRE AVEC DES ANALOGUES DE CAMPTOTHÉCINE
  申请人：HANGZHOU DAC BIOTECH CO LTD

  公开号：WO2021212638A1

  公开（公告）日：2021-10-28

  Provided are conjugates of camptothecin analogs with a cell-binding molecule of formula (I), wherein R1, R2, R3, R4, R5, X, L, n, m, T and ----- are defined herein. It also provides methods of making the conjugates of camptothecin analogs to a cell-binding agent, as well as methods of using the conjugates in targeted treatment of cancer, infection, and immunological disorders.

  提供了与公式（I）中的细胞结合分子结合的紫杉醇类似物的共轭物，其中R1、R2、R3、R4、R5、X、L、n、m、T和-----在此定义。还提供了制备紫杉醇类似物与细胞结合剂的共轭物的方法，以及在靶向治疗癌症、感染和免疫性疾病中使用这些共轭物的方法。
• [EN] N-ALKYLATED AMINO ACIDS AND OLIGOPEPTIDES, USES THEREOF AND METHODS FOR PROVIDING THEM.<br/>[FR] ACIDES AMINÉS N-ALKYLÉS ET OLIGOPEPTIDES, LEURS UTILISATIONS ET LEURS PROCÉDÉS DE PRODUCTION
  申请人：UNIV GRONINGEN

  公开号：WO2018178397A1

  公开（公告）日：2018-10-04

  The invention relates to the synthesis of amphiphilic amino acid derivatives, in particular to a method for the N-alkylation of an unprotected amino acid or the N-terminus of an oligopeptide substrate, comprising reacting said unprotected amino acid or oligopeptide substrate with an alcohol, e.g. a fatty alcohol, in the presence of a homogeneous transition metal catalyst.

  该发明涉及两性氨基酸衍生物的合成，特别涉及一种用于对未保护的氨基酸或寡肽底物的N-烷基化的方法，包括将所述未保护的氨基酸或寡肽底物与醇（例如脂肪醇）在均相过渡金属催化剂的存在下反应。
• ANTIBACTERIAL AGENT AND ANTICANCER AGENT
  申请人：MITSUBISHI CORPORATION

  公开号：EP1611889A1

  公开（公告）日：2006-01-04

  A novel antimicrobial agent and anticancer agent comprising, as an active ingredient, a fullerene derivative having a high antimicrobial activity and anticancer activity, wherein the antimicrobial agent or anticancer agent comprising, as an active ingredient, a fullerene derivative which has an organic bond structure represented by the following formula: (wherein A and B denote adjacently bonded carbon atoms, R1 and R2 are identical or different and denote a hydrocarbon group which may have a substituent, R3 and R4 are identical or different and denote a hydrogen atom or a hydrocarbon group which may have a substituent, and X denotes an anion) attached to respective plural pairs of adjacent bonded carbon atom pairs constituting the carbon cluster skeleton of the fullerene, are provided.

  一种新型抗微生物和抗癌剂，其作为活性成分包含具有高抗微生物活性和抗癌活性的富勒烯衍生物，其中所述抗微生物剂或抗癌剂的活性成分包括有一个有机键结构，该结构由以下公式表示：（其中A和B表示相邻键合的碳原子，R1和R2相同或不同，表示可能具有取代基的碳氢基团，R3和R4相同或不同，表示氢原子或可能具有取代基的碳氢基团，X表示阴离子），附着于富勒烯的构成碳簇骨架的相邻键合碳原子对的多个对。