Butylamino-acetic acid methyl ester | 204691-86-1

• 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: Butylamino-acetic acid methyl ester
• 英文别名: Methyl 2-(butylamino)acetate
• CAS: 204691-86-1
• 化学式: C₇H₁₅NO₂
• mdl: MFCD11140643
• 分子量: 145.202
• InChiKey: RCURUBANPMAFGS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  10
• 可旋转键数：
  6
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.857
• 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：

  Butylamino-acetic acid methyl ester 在 N-羟基-7-氮杂苯并三氮唑 、 N,N′-二叔丁基碳二亚胺 、 sodium hydride 、 三乙胺 、 N,N-二异丙基乙胺 、 三氟乙酸 、 N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-[(2R)-2-benzyl-4-butyl-3,6-dioxopiperazin-1-yl]-N-[(2S)-3-[(3S)-1-carbamimidoylpiperidin-3-yl]-1-oxo-1-(1,3-thiazol-2-yl)propan-2-yl]acetamide
  参考文献：
  名称：

  The design of potent and selective inhibitors of thrombin utilizing a piperazinedione template: Part 2

  摘要：

  Potent and selective thrombin inhibitors have been prepared with a piperazinedione template and L-amino acids. Likewise, incorporation of D-amino acids led to potent inhibitors with a novel mode of binding. Herein, the structure activity relationships and structural aspects of these compounds will be described. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00419-9
• 作为产物：
  描述：

  重氮乙酸甲酯 、 正丁胺 在 tetraacetatodiruthenium chloride 作用下， 以 苯 为溶剂， 反应 20.5h， 以17%的产率得到Butylamino-acetic acid methyl ester
  参考文献：
  名称：

  Reaction of Methyl Diazoacetate with Amines Catalyzed by Ru2(OAc)4Cl

  摘要：

  Reactions of primary and secondary amines with methyl diazoacetate in the presence of Ru-2(OAc)(4)Cl gave the corresponding N-substituted glycine methyl esters in almost quantitative yield. Catalytic decomposition of methyl diazoacetate generates methoxycarbonylcarbene which is inserted into the N-H bond of amines with high regioselectivity.

  DOI：

  10.1134/s1070428010100039

文献信息

• Facile Synthesis of 1,2,3,4-Tetrahydro-β-carbolines by One-Pot Domino Three-Component Indole Formation and Nucleophilic Cyclization
  作者：Yusuke Ohta、Shinya Oishi、Nobutaka Fujii、Hiroaki Ohno

  DOI：10.1021/ol900460m

  日期：2009.5.7

  Two direct synthetic methods of 1,2,3,4-tetrahydro-β-carboline derivatives have been developed. After initial indole formation by copper-catalyzed domino three-component coupling−cyclization using an appropriate ethynylaniline, aldehyde, and a secondary amine, treatment with t-BuOK/hexane or MsOH afforded the desired tetrahydro-β-carboline derivatives in moderate to good yields.

  已经开发了两种直接合成1,2,3,4-四氢-β-咔啉衍生物的方法。在使用适当的乙炔基苯胺，醛和仲胺通过铜催化的多米诺三组分偶联环化反应最初形成吲哚后，用t- BuOK /己烷或MsOH处理得到所需的四氢-β-咔啉衍生物，产率中等至良好。
• 5-CHLORO-2-DIFLUOROMETHOXYPHENYL PYRAZOLOPYRIMIDINE COMPOUNDS,COMPOSITIONS AND METHODS OF USE THEREOF
  申请人：Genentech, Inc.

  公开号：US20160237086A1

  公开（公告）日：2016-08-18

  Compounds of Formula (00A) and methods of use as Janus kinase inhibitors are described herein.

  本文描述了化学式(00A)的化合物以及作为Janus激酶抑制剂的使用方法。
• PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR AND PHOSPHORUS ADSORBENT FOR USE IN THE PREVENTION, TREATMENT OR SUPPRESSION OF CHRONIC KIDNEY DISEASE, ARTERIOSCLEROSIS ASSOCIATED WITH VASCULAR CALCIFICATION, OR ECTOPIC CALCIFICATION.
  申请人：Chugai Seiyaku Kabushiki Kaisha

  公开号：EP3928779A1

  公开（公告）日：2021-12-29

  The present invention provides a pharmaceutical composition containing, as an active ingredient, a dihydropyridazine-3,5-dione derivative or a salt thereof or a solvate of these, wherein the composition is administered in combination with a phosphorus adsorbent.

  本发明提供了一种药物组合物，其活性成分为二氢哒嗪-3,5-二酮衍生物或其盐或其溶液，其中该组合物与磷吸附剂结合使用。
• IRAK4 KINASE INHIBITOR AND PREPARATION METHOD THEREFOR
  申请人：Zhuhai Yufan Biotechnologies Co., Ltd

  公开号：EP4006028A1

  公开（公告）日：2022-06-01

  The present invention provides a compound of general formula I, and a pharmaceutically acceptable salt, a stereoisomer, an ester, a prodrug, a solvate and a deuterated compound thereof, wherein the compound is an IRAK4 kinase inhibitor, and can be used for preventing and/or treating diseases related to IRAK4, such as autoimmune diseases, inflammatory diseases, cancers, heteroimmune diseases, thromboembolism, atherosclerosis, myocardial infarction and metabolic syndrome.

  本发明提供了通式I的化合物及其药学上可接受的盐、立体异构体、酯、原药、溶媒和氘代化合物，其中该化合物为IRAK4激酶抑制剂，可用于预防和/或治疗与IRAK4相关的疾病，如自身免疫性疾病、炎症性疾病、癌症、异种免疫性疾病、血栓栓塞症、动脉粥样硬化、心肌梗塞和代谢综合征。
• Substituted naphtho[2,3-b]furans as water-soluble prodrugs for preventing and/or treating cancer
  申请人：BOSTON BIOMEDICAL, INC.

  公开号：US10183925B2

  公开（公告）日：2019-01-22

  The present invention provides compounds represented by formula (1A), or pharmaceutically acceptable salts. Compounds represented by formula (1A), or pharmaceutically acceptable salts thereof, wherein A1 and A2 are identical or different, and each independently —C(═O) B, —C(═O)CR3AR3BB, —CO2B, —C(═S)OB, —CONR3CB, —C(═S)NR3CB, a hydrogen atom, or the like, wherein A1 and A2 are not both hydrogen atoms, wherein B is an optionally substituted 3- to 12-membered monocyclic or polycyclic heterocyclic group, an optionally substituted 3- to 12-membered cyclic amino group, or a group represented by the following formula (B), wherein the 3- to 12-membered monocyclic or polycyclic heterocyclic group and the 3- to 12-membered cyclic amino group have at least one or more secondary nitrogen atoms in the ring; R1 is a hydrogen atom or the like; R2A, R2B, R2C, and R2D are identical or different, and each independently a hydrogen atom or the like; and R8 is alkyl. wherein * denotes a bonding position.

  本发明提供了式(1A)代表的化合物或其药学上可接受的盐。由式(1A)代表的化合物或其药学上可接受的盐，其中A1和A2相同或不同，且各自独立地为-C(═O)B、-C(═O)CR3AR3BB、-CO2B、-C(═S)OB、-CONR3CB、-C(═S)NR3CB、氢原子或类似物，其中A1和A2并非都是氢原子、其中 B 是任选取代的 3 至 12 元单环或多环杂环基团，任选取代的 3 至 12 元环状氨基基团，或下式（B）所代表的基团，其中 3 至 12 元单环或多环杂环基团和 3 至 12 元环状氨基基团在环中至少有一个或多个仲氮原子；R1为氢原子或类似物；R2A、R2B、R2C 和 R2D 相同或不同，且各自独立地为氢原子或类似物；以及 R8 为烷基。 其中 * 表示键合位置。