3-carboxy-N,N,N-trimethylpropan-1-aminium | 10329-41-6

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 英文名称: 3-carboxy-N,N,N-trimethylpropan-1-aminium
• 英文别名: 4-trimethylammoniobutanoic acid；γ-butyrobetaine；4-trimethylammonio-butyric acid；Trimethyl-(3-carboxy-propyl)-ammonium；4-Trimethylammonio-buttersaeure；γ-Dimethylamino-buttersaeure-hydroxymethylat；4-Trimethylammoniobutanoate；3-carboxypropyl(trimethyl)azanium
• CAS: 10329-41-6
• 化学式: C₇H₁₆NO₂
• 分子量: 146.21
• InChiKey: JHPNVNIEXXLNTR-UHFFFAOYSA-O

计算性质

• 辛醇/水分配系数(LogP)：
  0.1
• 重原子数：
  10
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  37.3
• 氢给体数：
  1
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  3-carboxy-N,N,N-trimethylpropan-1-aminium 在 recombinant Pesudomonas sp. AK1 γ-butyrobetaine hydroxylase 、 氧气 、 2-氧代-戊二酸离子(2-) 作用下， 反应 0.08h， 生成 L-carnitine
  参考文献：
  名称：

  阳离子-π相互作用有助于γ-丁甜菜碱羟化酶催化中的底物识别。

  摘要：

  γ-丁甜菜碱羟化酶（BBOX）是非血红素的Fe（II）和2-氧戊二酸依赖性加氧酶，可在肉碱生物合成的最后一步催化γ-丁甜菜碱（γBB）的未激活CH键的立体选择性羟化反应。BBOX包含一个芳香族笼子，用于识别γBB底物的带正电的三甲基铵基团。在三甲基铵基团中用P和As替代N的底物类似物的酶结合和动力学分析表明，这些类似物是良好的BBOX底物，其遵循效率趋势N（+）> P（+）> As（+）。结果表明，γBB的不带电荷的碳类似物不是BBOX底物，因此突出了在生产性底物识别中能量上有利的阳离子-π相互作用的重要性。

  DOI：

  10.1002/chem.201503761
• 作为产物：
  描述：

  硫酸二甲酯 、 4-氨基丁酸 在 sodium hydroxide 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 3-carboxy-N,N,N-trimethylpropan-1-aminium
  参考文献：
  名称：

  Design and Synthesis of Novel Sulfonamide-Containing Bradykinin hB₂ Receptor Antagonists. 2. Synthesis and Structure−Activity Relationships of α,α-Cycloalkylglycine Sulfonamides

  摘要：

  Recently we reported on the design and synthesis of a novel class of selective nonpeptide bradykinin (BK) B-2 receptor antagonists (J. Med. Chem. 2006, 3602-3613). This work led to the discovery of MEN 15442, an antagonist with subnanomolar affinity for the human B2 receptor (hB2R), which also displayed significant and prolonged activity in vivo (for up to 210 min) against BK-induced bronchoconstriction in the guinea-pig at a dose of 300 nmol/kg (it), while demonstrating only a slight effect on BK-induced hypotension. Here we describe the further optimization of this series of compounds aimed at maximizing the effect on bronchoconstriction and minimizing the effect on hypotension, with a view to developing topically delivered drugs for airway diseases. The work led to the discovery of MEN 16132, a compound which, after intratracheal or aerosol administration, inhibited, in a dose-dependent manner, BK-induced bronchoconstricton in the airways, while showing minimal systemic activity. This compound was selected as a preclinical candidate for the topical treatment of airway diseases involving kinin B2 receptor stimulation.

  DOI：

  10.1021/jm061143k

文献信息

• [EN] PANTETHENOYLCYSTEINE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE PANTÉTHÉNOYLCYSTÉINE ET LEURS UTILISATIONS
  申请人：COMET THERAPEUTICS INC

  公开号：WO2020198573A1

  公开（公告）日：2020-10-01

  The present disclosure relates to compounds of Formula (I) or (II): (Formulae (I), (II)), and pharmaceutically acceptable salts or solvates thereof. The present disclosure also relates to pharmaceutical compositions comprising the compounds and therapeutic and diagnostic uses of the compounds and pharmaceutical compositions.

  本公开涉及式(I)或(II)的化合物：(式(I)，(II))，以及其药用可接受的盐或溶剂化合物。本公开还涉及包含这些化合物的药物组合物，以及这些化合物和药物组合物的治疗和诊断用途。
• [EN] MACROCYCLIC PANTETHEINE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS MACROCYCLIQUES DE LA PANTÉTHÉINE ET LEURS UTILISATIONS
  申请人：COMET THERAPEUTICS INC

  公开号：WO2021108579A1

  公开（公告）日：2021-06-03

  The present disclosure relates to compounds of Formulae (I) or (II): and pharmaceutically acceptable salts or solvates thereof. The present disclosure also relates to pharmaceutical compositions comprising the compounds and therapeutic and diagnostic uses of the compounds and pharmaceutical compositions.

  本公开涉及式(I)或(II)的化合物，以及其药学上可接受的盐或溶剂化合物。本公开还涉及包含这些化合物的药物组合物，以及这些化合物和药物组合物的治疗和诊断用途。
• Non-standard amino acid conjugates of amphetamine and processes for making and using the same
  申请人：Mickle Travis C.

  公开号：US20080139653A1

  公开（公告）日：2008-06-12

  Disclosed are amphetamine prodrug compositions comprising at least one non-standard amino acid conjugate of amphetamine, a salt thereof, a derivative thereof, or a combination thereof. Methods of making and using the same are also disclosed.

  揭示了包含至少一种苯丙胺非标准氨基酸共轭物、其盐、衍生物或其组合的苯丙胺前体组合物。还公开了制备和使用这些组合物的方法。
• [EN] CONVERSION OF A MULTIHYDROXYLATED-ALIPHATIC HYDROCARBON OR ESTER THEREOF TO A CHLOROHYDRIN<br/>[FR] CONVERSION D'UN HYDROCARBURE ALIPHATIQUE MULTIHYDROXYLE OU L'UN DE SES ESTERS EN CHLOROHYDRINE
  申请人：DOW GLOBAL TECHNOLOGIES INC

  公开号：WO2006020234A1

  公开（公告）日：2006-02-23

  The present invention relates to a process for converting a multihydroxylated-aliphatic hydrocarbon or ester thereof to a chlorohydrin, by contacting the multihydroxylated-aliphatic hydrocarbon or ester thereof starting material with a source of a superatmospheric partial pressure of hydrogen chloride for a sufficient time and at a sufficient temperature, and wherein such contracting step is carried out without substantial removal of water, to produce the desired chlorohydrin product; wherein the desired product or products can be made in high yield without substantial formation of undesired overchlorinated byproducts. In addition, certain catalysts of the present invention may be used in the present process at superatmospheric, atmospheric and subatmospheric pressure conditions with improved results.

  本发明涉及一种将多羟基脂肪烃或其酯转化为氯水合物的方法，通过将多羟基脂肪烃或其酯起始物料与氯化氢的超大气分压源接触足够的时间和适当的温度，其中这种接触步骤在没有实质性去除水的情况下进行，以生产所需的氯水合物产品；所述所需产品或产品可以高产率地制备，而几乎不形成不需要的过氯化副产物。此外，本发明的某些催化剂可以在超大气压、大气压和次大气压条件下用于本方法，取得改进的结果。
• CONJUGATES, PARTICLES, COMPOSITIONS, AND RELATED METHODS
  申请人：CERULEAN PHARMA INC.

  公开号：US20140037573A1

  公开（公告）日：2014-02-06

  Particles and conjugates for delivering nucleic acid agents. Compositions containing the particles, the conjugates, or both. Methods of using the particles, the conjugates, and the compositions.

  传递核酸药剂的粒子和共轭物。含有这些粒子、共轭物或两者的组合物。使用这些粒子、共轭物和组合物的方法。