methyl 2-(isopropylamino)-2-methyl propanoate | 1157807-63-0

• 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: methyl 2-(isopropylamino)-2-methyl propanoate
• 英文别名: Methyl 2-methyl-2-[(propan-2-yl)amino]propanoate；methyl 2-methyl-2-(propan-2-ylamino)propanoate
• CAS: 1157807-63-0
• 化学式: C₈H₁₇NO₂
• mdl: MFCD12040115
• 分子量: 159.228
• InChiKey: DCTJKSQMQNLSAC-UHFFFAOYSA-N

物化性质

• 沸点：
  185.0±23.0 °C(Predicted)
• 密度：
  0.918±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  11
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.875
• 拓扑面积：
  38.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  methyl 2-(isopropylamino)-2-methyl propanoate 在 铁粉 、 碳酸氢钠 作用下， 以 乙醚 、 正己烷 为溶剂， 反应 20.0h， 生成 2-chloro-7,7-dimethyl-8-propan-2-yl-5H-pteridin-6-one
  参考文献：
  名称：

  Design and synthesis of highly selective, orally active Polo-like kinase-2 (Plk-2) inhibitors

  摘要：

  Polo-like kinase-2 (Plk-2) is a potential therapeutic target for Parkinson's disease and this Letter describes the SAR of a series of dihydropteridinone based Plk-2 inhibitors. By optimizing both the N-8 substituent and the biaryl region of the inhibitors we obtained single digit nanomolar compounds such as 37 with excellent selectivity for Plk-2 over Plk-1. When dosed orally in rats, compound 37 demonstrated a 41-45% reduction of pS129-alpha-synuclein levels in the cerebral cortex. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.065
• 作为产物：
  描述：

  2-amino-2-methylpropionic acid methyl ester 、 丙酮 在 sodium acetate 、 三乙酰氧基硼氢化钠 作用下， 以 二氯甲烷 为溶剂， 反应 18.0h， 生成 methyl 2-(isopropylamino)-2-methyl propanoate
  参考文献：
  名称：

  Design and synthesis of highly selective, orally active Polo-like kinase-2 (Plk-2) inhibitors

  摘要：

  Polo-like kinase-2 (Plk-2) is a potential therapeutic target for Parkinson's disease and this Letter describes the SAR of a series of dihydropteridinone based Plk-2 inhibitors. By optimizing both the N-8 substituent and the biaryl region of the inhibitors we obtained single digit nanomolar compounds such as 37 with excellent selectivity for Plk-2 over Plk-1. When dosed orally in rats, compound 37 demonstrated a 41-45% reduction of pS129-alpha-synuclein levels in the cerebral cortex. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.02.065

文献信息

• 2'-FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT
  申请人：Cho Aesop

  公开号：US20110070194A1

  公开（公告）日：2011-03-24

  Provided are pyrrolo[1,2-f][1,2,4]triazinyl, imidazo[1,5-f][1,2,4]triazinyl, imidazo[1,2-f][1,2,4]triazinyl, and [1,2,4]triazolo[4,3-f][1,2,4]triazinyl nucleosides, nucleoside phosphates and prodrugs thereof, wherein the 2′ position of the nucleoside sugar is substituted with halogen and carbon substitutents. The compounds, compositions, and methods provided are useful for the treatment of Flaviviridae virus infections, particularly hepatitis C infections caused by both wild type and mutant strains of HCV.

  提供了吡咯并[1,2-f][1,2,4]三唑基，咪唑并[1,5-f][1,2,4]三唑基，咪唑并[1,2-f][1,2,4]三唑基，以及[1,2,4]三唑并[4,3-f][1,2,4]三唑基核苷，核苷酸磷酸酯和它们的前药，其中核苷糖的2'位置被卤素和碳取代基取代。提供的化合物、组合物和方法对于治疗黄病毒科病毒感染特别有效，尤其是治疗由HCV的野生型和突变株引起的丙型肝炎感染。
• ETHYNYL DERIVATIVES
  申请人：Hoffmann-La Roche Inc.

  公开号：US20170008854A1

  公开（公告）日：2017-01-12

  The present invention relates to compounds useful for the treatment of Parkinson's disease, anxiety, emesis, obsessive compulsive disorder, autism, neuroprotection, cancer, depression and diabetes type 2.

  本发明涉及用于治疗帕金森病、焦虑、呕吐、强迫症、自闭症、神经保护、癌症、抑郁症和2型糖尿病的化合物。
• [EN] ETHYNYL-IMIDAZOLIN-2,4-DIONE DERIVATIVES AS MGLUR4 MODULATORS<br/>[FR] DÉRIVÉS DE L'ÉTHYNYL-IMIDAZOLIN-2,4-DIONE SOUS FORME DE MODULATEURS DU MGLUR4
  申请人：HOFFMANN LA ROCHE

  公开号：WO2015104271A1

  公开（公告）日：2015-07-16

  The present invention relates to compounds of formula (I) wherein Y is C-R1; R1 is hydrogen or halogen; R1 is hydrogen or halogen; R2 is hydrogen, lower alkyl or phenyl,; R4 is hydrogen or lower alkyl; or R2 and R4 may form together with the corresponding atoms, to which they are attached the following rings: (A), (B), (C), (D) or (E); R5 is hydrogen or lower alkyl; and if R2 and R4 form a ring as described above, than R5 is hydrogen; or R4 and R5 may form together with the C-atom to which they are attached a heterocycloalkyl ring; R3 is phenyl or pyridinyl, wherein the N atom in the pyridinyl group may be in different positions; or to a pharmaceutically acceptable salt or acid addition salt, to a racemic mixture, or to its corresponding enantiomer and/or optical isomer and/or stereoisomer thereof. The compounds may be used for the treatment of Parkinson's disease, anxiety, emesis, obsessive compulsive disorder, autism, neuroprotection, cancer, depression and diabetes type 2.

  本发明涉及式（I）的化合物，其中Y为C-R1; R1为氢或卤素; R1为氢或卤素; R2为氢，低级烷基或苯基; R4为氢或低级烷基; 或R2和R4可以与它们所附着的相应原子一起形成以下环：（A），（B），（C），（D）或（E）; R5为氢或低级烷基; 如果R2和R4形成上述环，则R5为氢; 或者R4和R5可以与它们所附着的C原子一起形成杂环烷基环; R3为苯基或吡啶基，其中吡啶基中的N原子可以处于不同的位置; 或者是其药学上可接受的盐或酸加成盐，其外消旋混合物，或其对应的对映体和/或光学异构体和/或立体异构体。这些化合物可用于治疗帕金森病、焦虑症、恶心、强迫症、自闭症、神经保护、癌症、抑郁症和2型糖尿病。
• Viral Polymerase Inhibitors
  申请人：Beaulieu Louis Pierre

  公开号：US20070142380A1

  公开（公告）日：2007-06-21

  An isomer, enantiomer, diastereoisomer or tautomer of a compound, represented by formula I: wherein A, B, R 2 , R 3 , L, M 1 , M 2 , M 3 , M 4 , Y 1 , Y 0 , Z and Sp are as defined in claim 1 , or a salt thereof, as an inhibitor of HCV NS5B polymerase.

  一种化合物的同分异构体、对映异构体、非对映异构体或互变异构体，其化学式为I：其中A、B、R2、R3、L、M1、M2、M3、M4、Y1、Y0、Z和Sp如权利要求1所定义，或其盐，作为HCV NS5B聚合酶的抑制剂。
• CETP INHIBITORS DERIVED FROM BENZOXAZOLE ARYLAMIDES
  申请人：Hunt Julianne A.

  公开号：US20100197630A1

  公开（公告）日：2010-08-05

  Compounds having the structure of Formula I, including pharmaceutically acceptable salts of the compounds, are potent CETP inhibitors, and are useful for raising HDL-cholesterol, reducing LDL-cholesterol, and for treating or preventing atherosclerosis. In formula I, A-B is an arylamide moiety.

  具有I式结构的化合物，包括该化合物的药物可接受的盐，是有效的CETP抑制剂，可用于提高高密度脂蛋白胆固醇，降低低密度脂蛋白胆固醇，并用于治疗或预防动脉硬化。在公式I中，A-B是一个芳香酰胺基团。