Monoglycinester des Cyclopentanols | 98435-69-9

• 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: Monoglycinester des Cyclopentanols
• 英文别名: Cyclopentyl 2-aminoacetate
• CAS: 98435-69-9
• 化学式: C₇H₁₃NO₂
• 分子量: 143.186
• InChiKey: PFXFFCDUAZPXOZ-UHFFFAOYSA-N

物化性质

• 沸点：
  197.6±13.0 °C(Predicted)
• 密度：
  1.07±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  52.3
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  Monoglycinester des Cyclopentanols 、 (2S,4R)-1-(benzofuran-3-carbonyl)-4-(3-ethyl-1-methyl-1H-pyrazole-5-carboxamido)pyrrolidine-2-carboxylic acid 在 N,N-二异丙基乙胺 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以54.3%的产率得到cyclopentyl 2-((2S,4R)-1-(benzofuran-3-carbonyl)-4-(3-ethyl-1-methyl-1H-pyrazole-5-carboxamido)pyrrolidine-2-carboxamido)acetate
  参考文献：
  名称：

  Encoded Library Technology as a Source of Hits for the Discovery and Lead Optimization of a Potent and Selective Class of Bactericidal Direct Inhibitors of Mycobacterium tuberculosis InhA

  摘要：

  Tuberculosis (TB) is one of the world's oldest and deadliest diseases, killing a person every 20 s. InhA, the enoyl-ACP reductase from Mycobacterium tuberculosis, is the target of the frontline antitubercular drug isoniazid (INH). Compounds that directly target InhA and do not require activation by mycobacterial catalase peroxidase KatG are promising candidates for treating infections caused by INH resistant strains. The application of the encoded library technology (ELT) to the discovery of direct InhA inhibitors yielded compound 7 endowed with good enzymatic potency but with low antitubercular potency. This work reports the hit identification, the selected strategy for potency optimization, the structure-activity relationships of a hundred analogues synthesized, and the results of the in vivo efficacy studies performed with the lead compound 65.

  DOI：

  10.1021/jm401326j
• 作为产物：
  描述：

  环戊醇 在 platinum(IV) oxide 氢气 、 N,N'-羰基二咪唑 作用下， 以 四氢呋喃 、 溶剂黄146 为溶剂， 生成 Monoglycinester des Cyclopentanols
  参考文献：
  名称：

  Zachau,H.G.; Karau,W., Chemische Berichte, 1960, vol. 93, p. 1830 - 1839

  摘要：

  DOI：

文献信息

• [EN] NOVEL HEPCIDIN MIMETICS AND USES THEREOF<br/>[FR] NOUVEAUX MIMÉTIQUES D'HEPCIDINE ET LEURS UTILISATIONS
  申请人：BAYER HEALTHCARE LLC

  公开号：WO2018128828A1

  公开（公告）日：2018-07-12

  The present invention relates to novel peptides acting as hepcidin mimetics, as well as analogues and derivatives thereof. The invention further relates to compositions comprising the peptides of the present invention, and to the use of the peptides in the prophylaxis and treatment of hepcidin-associated disorders, including prophylaxis and treatment of iron overload diseases such as hemochromatosis, iron-loading anemias such as thalassemia, and diseases being associated with ineffective or augmented erythropoiesis, as well as further related conditions and disorders described herein.

  本发明涉及作为赫普西定类似物的新型肽，以及其类似物和衍生物。该发明还涉及包含本发明肽的组合物，以及在预防和治疗赫普西定相关疾病中使用这些肽，包括预防和治疗铁过载疾病如血色病、铁负荷性贫血如地中海贫血，以及与效率低下或增强的红细胞生成相关的疾病，以及本文所述的进一步相关病症和疾病。
• Hepatitis C inhibitor tri-peptides
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20030187018A1

  公开（公告）日：2003-10-02

  Disclosed herein are compounds of formula (1): 1 wherein R 1 is hydroxy or NHSO 2 R 1A wherein R 1A is (C 1-8 )alkyl, (C 3-7 )cycloalkyl or {(C 1-6 )alkyl-(C 3-7 )cycloalkyl}, which are all optionally substituted from 1 to 3 times with halo, cyano, nitro, O—(C 1-6 )alkyl, amido, amino or phenyl, or R 1A is C 6 or C 10 aryl which is optionally substituted from 1 to 3 times with halo, cyano, nitro, (C 1-6 )alkyl, O—(C 1-6 ) alkyl, amido, amino or phenyl; R 2 is (C 4-6 )cycloalkyl; R 3 is t-btuyl or (C 5-6 ) cycloalkyl and R 4 is (C 4-6 )cycloalkyl; or a pharmaceutically acceptable salt thereof. The compounds are useful as inhibitors of HCV NS3 protease.

  本文揭示了式（1）的化合物： 其中R1是羟基或NHSO2R1A，其中R1A是（C1-8）烷基，（C3-7）环烷基或{（C1-6）烷基-（C3-7）环烷基}，这些都可以选择性地用卤素，氰基，硝基，O-（C1-6）烷基，酰胺，氨基或苯基取代1至3次，或者R1A是C6或C10芳基，该芳基可以选择性地用卤素，氰基，硝基，（C1-6）烷基，O-（C1-6）烷基，酰胺，氨基或苯基取代1至3次；R2是（C4-6）环烷基；R3是叔丁基或（C5-6）环烷基，R4是（C4-6）环烷基；或其药学上可接受的盐。这些化合物可用作HCV NS3蛋白酶的抑制剂。
• SYNTHESIS METHOD FOR L-CYCLIC ALKYL AMINO ACID AND PHARMACEUTICAL COMPOSITION HAVING THEREOF
  申请人：ASYMCHEM LABORATORIES (TIANJIN) CO., LTD

  公开号：US20160319312A1

  公开（公告）日：2016-11-03

  A synthesis method for L-cyclic alkyl amino acid and a pharmaceutical composition having the said amino acid are provide in the present disclosure provides. The synthesis method comprises: step A.) preparing a cyclic alkyl keto acid or a cyclic alkyl keto acid salt having Structural Formula (I) or Structural Formula (II), and step B.) mixing the cyclic alkyl keto acid or the cyclic alkyl keto acid salt with ammonium formate, a leucine dehydrogenase, a formate dehydrogenase and a coenzyme NAD + , and carrying out a reductive amination reaction to generate the L-cyclic alkyl amino acid, wherein the Structural Formula (I) is where n 1 ≧1, m 1 ≧0 and the M 1 is H or a monovalent cation; the Structural Formula (II) is where n 2 ≧0, m 2 ≧0, the M 2 is H or a monovalent cation, an amino acid sequence of the leucine dehydrogenase is SEQ ID No.1.

  本公开提供了一种L-环烷基氨基酸的合成方法和含有该氨基酸的药物组合物。该合成方法包括：步骤A.) 准备具有结构式（I）或结构式（II）的环烷基酮酸或环烷基酮酸盐，步骤B.) 将环烷基酮酸或环烷基酮酸盐与甲酸铵、亮氨酸脱氢酶、甲酸脱氢酶和辅酶NAD+混合，并进行还原胺化反应以生成L-环烷基氨基酸，其中结构式（I）为n1≧1，m1≧0，M1为H或一价阳离子；结构式（II）为n2≧0，m2≧0，M2为H或一价阳离子，亮氨酸脱氢酶的氨基酸序列为序列号1。
• [EN] TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES<br/>[FR] MACROCYCLES PEPTIDOMIMÉTIQUES RÉTICULÉS PAR TRIAZOLE ET PAR THIOÉTHER
  申请人：AILERON THERAPEUTICS INC

  公开号：WO2013123267A1

  公开（公告）日：2013-08-22

  Provided herein are peptidomimetic macrocycles and methods of using such macrocycles for the treatment of disease.

  本文提供了肽类模拟大环和使用这种大环治疗疾病的方法。
• CBX8 CHROMDOMAIN INHIBITORS AND THE USES THEREOF
  申请人：Purdue Research Foundation

  公开号：US20200385424A1

  公开（公告）日：2020-12-10

  The present invention relates to series of peptidomimetic compounds selectively targeting CBX8 of polycomb chromobox protein homolog proteins. Pharmaceutical compositions of those compounds and methods of using them in the treatment of diseases involved CBX8 pharmacology, including various cancers and leukemia, by administering therapeutically effective amounts of such compound alone or together with other therapeutics, are within the scope of this disclosure.

  本发明涉及一系列选择性靶向Polycomb chromobox蛋白同源蛋白CBX8的肽类模拟化合物。这些化合物的药物组合以及使用它们治疗涉及CBX8药理的疾病的方法，包括各种癌症和白血病，通过单独或与其他治疗方法一起给予这些化合物的治疗有效量，属于本公开内容的范围。