(N-carboxymethyl)-N-methylmopholinium inner salt | 385376-57-8

• 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: (N-carboxymethyl)-N-methylmopholinium inner salt
• 英文别名: N-carboxymethyl-N-methylmorpholinium；2-(1-methylmorpholinium-1-yl)acetate；N-Methyl-morpholino-betain；N-Methyl-morpholin-betain；4-carboxymethyl-4-methyl-morpholinium betaine；2-(4-Methylmorpholin-4-ium-4-yl)acetate
• CAS: 385376-57-8
• 化学式: C₇H₁₃NO₃
• 分子量: 159.185
• InChiKey: FTIFGDPEGPMDCA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  49.4
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  五氯酚 、 (N-carboxymethyl)-N-methylmopholinium inner salt 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  FTIR studies of complexes of N-methylmorpholine betaine with phenols

  摘要：

  Three types of crystalline complexes of N-methylmorpholine betaine (MMB) with phenols (1:1, 1:2, 2:1) were prepared and their FTIR spectra were studied as a function of the acidity of phenols. The variations of absorption in the 3000-2000 and 1600-400cm(-1) ions with pK(a) values of phenols in the 1:1 complexes reflect the formation of the molecular complex (A-H...B) and hydrogen-bonded ion pair (A(-)... HB+). In the 1:2 complexes the betaine carboxylate group is linked to two phenol molecules forming two different hydrogen bonds. The FTIR spectra are less affected by proton donor properties of phenol. In the 2:1 complex of MMB with picric acid two molecules of MMB are bridged by hydrogen bond and form a homoconjugated cation. The FTIR spectrum shows a broad (continuum) absorption in 1500-400 cm(-1) region, which suggests a strong hydrogen bond. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(02)00246-6
• 作为产物：
  描述：

  N-carbetoxymethyl-N-methylmorpholinium chloride 在 anion-exchange resin 、 basic form 作用下， 以 水 为溶剂， 以92%的产率得到(N-carboxymethyl)-N-methylmopholinium inner salt
  参考文献：
  名称：

  Crystal structure and spectroscopic properties of N-methylmorpholine betaine phosphate

  摘要：

  The crystal and molecular structure of N-methylmorpholine betaine phosphate was solved by X-ray diffraction and four O .H .O hydrogen bonds were found. Two hydrogen atoms of phosphoric acid link both oxygen atoms of the N-methylmorpholine betaine by one short (O . . .O = 2.466(3) Angstrom) and one longer (O . . .O = 2.557(3) Angstrom) hydrogen bonds. The third hydrogen atom of phosphoric acid occupies the special position in the inversion centers of the unit cell and links PO4 groups by two short and symmetrical hydrogen bonds (2.464(3) and 2.444(3) Angstrom) into infinite chains parallel to the x-axis. The FTIR spectrum of the complex shows a broad and intense absorption in the 3000-400 cm(-1) region. Two different isotope effects (nu OH/nu OD) suggest that the absorption of the longer hydrogen bond is located in the 3000-1600 cm(-1) region, but that attributed to the shorter hydrogen bonds is in the 1600-400 cm(-1) region. (C) 2000 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(00)00588-3

文献信息

• COMPOSITIONS AND METHODS FOR BIOLOGICAL SAMPLE STORAGE
  申请人：Whitney Scott E.

  公开号：US20110081363A1

  公开（公告）日：2011-04-07

  Compositions and methods are disclosed for substantially dry storage at ambient or elevated temperatures of biological samples such as nucleic acids, proteins and cells in a form from which the samples can be substantially recovered, using a dissolvable or dissociable dry storage matrix comprising a borate composition and a stabilizer as disclosed, such as any of a number of zwitterionic stabilizers.

  本发明公开了一种用于在常温或升高温度下实现生物样品（如核酸、蛋白质和细胞）的基本干燥储存的组合物和方法，所述生物样品可以在其中以基本恢复的形式被恢复，使用可溶解或可分解的干燥储存基质，该基质包含硼酸盐组合物和稳定剂，例如多种带电离的稳定剂之一。
• [EN] URACYL SPIROOXETANE NUCLEOSIDES<br/>[FR] NUCLÉOSIDES DE SPIROOXÉTANE D'URACILE
  申请人：CENTOCOR ORTHO BIOTECH PRODUCT

  公开号：WO2010130726A1

  公开（公告）日：2010-11-18

  Compounds of the formula (I) including any possible stereoisomers thereof, wherein: R4 is a monophosphate, diphosphate or triphosphate ester; or R4 is formula (II) or formula (III), R7 is optionally substituted phenyl, optionally substituted naphthyl, or optionally substituted indolyl; R8 and R8 are hydrogen, C1-C6alkyl, benzyl, or phenyl; or R8 and R8 form C3-C7cycloalkyl; R9 is C1-C10alkyl, C3-C7cycloalkyl, phenyl or phenyl-C1-C6alkyl, wherein the phenyl moiety in phenyl or phenyl-C1-C6alkyl is optionally substituted; or a pharmaceutically acceptable salt or solvate thereof; pharmaceutical formulations and the use of compounds I as HCV inhibitors.

  化合物的公式（I）及其可能的立体异构体，其中：R4是单磷酸酯、二磷酸酯或三磷酸酯；或R4是公式（II）或公式（III），R7是可选择取代的苯基、可选择取代的萘基或可选择取代的吲哚基；R8和R8是氢、C1-C6烷基、苄基或苯基；或R8和R8形成C3-C7环烷基；R9是C1-C10烷基、C3-C7环烷基、苯基或苯基-C1-C6烷基，其中苯基或苯基-C1-C6烷基中的苯基部分可选择取代；或其药学上可接受的盐或溶剂；药物配方和将化合物I用作HCV抑制剂。
• Neue Polypeptide mit blutgerinnungshemmender Wirkung, Verfahren zu deren Herstellung bzw. Gewinnung, deren Verwendung und diese enthaltende Mittel
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0209061A2

  公开（公告）日：1987-01-21

  Die Erfindung betrifft ein Polypeptid der Formelworin R für phenolischen Wasserstoff oder eine Phenolestergruppe steht und m, n, X, Z, A, B, C, D, E, F, G, H und J die angegebenen Bedeutungen aufweisen und worin die 6 Cys-Reste paarweise über Disulfid-Brücken verknüpft sind, Verfahren zu deren Herstellung oder Gewinnung, deren Verwendung und diese enthaltende Mittel.

  本发明涉及一种多肽，其中 R 代表酚氢或酚酯基团，m、n、X、Z、A、B、C、D、E、F、G、H 和 J 具有所述含义，其中 6 个 Cys 残基通过二硫桥成对连接，本发明还涉及制备或回收这些多肽的工艺、用途和含有这些多肽的制剂。
• A new cartilage-derived leukocyte elastase-inhibitor
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0257312A2

  公开（公告）日：1988-03-02

  A protein or a pharmaceutically acceptable salt thereof. The protein has a molecular weight of 10,000-30,000 Dalton, an isoelectric point greater than 9.5, and an N terminus of the sequence H-Lys-X-Phe-Lys-Val-Asp-Val-Leu-Ala-Ala-Leu-X-Phe-­Asn-Ala-, wherein X is an amino acid or a tryptic cleavage prod­uct which has the sequence -Gly-Ala-Asn-Ala-Val-Asn-. Methods for the isolation and purification of the protein, compositions containing the protein, and methods for the use of the protein and compositions, are also disclosed.

  一种蛋白质或其药学上可接受的盐。 该蛋白质的分子量为10,000-30,000道尔顿，等电点大于9.5，N端序列为H-Lys-X-Phe-Lys-Val-Asp-Val-Leu-Ala-Ala-Leu-X-Phe-Asn-Ala-，其中X为氨基酸或胰蛋白酶裂解产物，其序列为-Gly-Ala-Asn-Ala-Val-Asn-。 还公开了分离和纯化该蛋白质的方法、含有该蛋白质的组合物以及使用该蛋白质和组合物的方法。
• Structural effect of synthetic zwitterionic cosolutes on the stability of DNA duplexes
  作者：Kazuya Koumoto、Hirofumi Ochiai、Naoki Sugimoto

  DOI：10.1016/j.tet.2007.10.060

  日期：2008.1

  The molecular design of useful cosolutes for polymerase chain reaction (PCR), which is one of the most important techniques in molecular biology, plays a significant role in amplification of highly stable genome sequences because during PCR, strand dissociation sometimes fails due to high melting temperature. Here, we designed and synthesized eight new zwitterionic cosolutes derived from glycine betaine, a destabilizing reagent for GC-rich DNA duplexes, and systematically compared their ability to destabilize DNA duplexes and to amplify genome DNA by PCR. We found that introduction of n-butyl groups rather than methyl groups into the ammonium group reduced the melting temperature of DNA duplexes 11-fold more than what was observed for the scaffold cosolute, glycine betaine, and furthermore, the cosolute can amplify the stable genome sequence by PCR. (c) 2007 Elsevier Ltd. All rights reserved.