methanesulphonic acid (2-methyl-2-nitropropyl)-ester | 76813-89-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: methanesulphonic acid (2-methyl-2-nitropropyl)-ester
• 英文别名: 2-methyl-2-nitropropyl methanesulfonate；methanesulfonic acid-(β-nitro-isobutyl ester)；1-Methansulfonyloxy-2-methyl-2-nitro-propan；Methansulfonsaeure-(β-nitro-isobutylester)；methanesulfonic acid-(2-methyl-2-nitropropyl)-ester；(2-methyl-2-nitropropyl) methanesulfonate
• CAS: 76813-89-3
• 化学式: C₅H₁₁NO₅S
• mdl: MFCD28954472
• 分子量: 197.212
• InChiKey: ITLNVNMYSVRTHM-UHFFFAOYSA-N

物化性质

• 熔点：
  50-52 °C
• 沸点：
  346.0±25.0 °C(Predicted)
• 密度：
  1.303±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  97.6
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  methanesulphonic acid (2-methyl-2-nitropropyl)-ester 在 sodium azide 作用下， 以 二甲基亚砜 为溶剂， 以7.4g的产率得到1-azido-2-methyl-2-nitropropane
  参考文献：
  名称：

  三功能支架衍生化合物作为胰岛素受体调节剂的文库的合成和评价

  摘要：

  我们设计了三功能支架衍生化合物的组合库，这些化合物是用30种不同的内部叠氮化物衍生化的。建议该化合物模拟胰岛素分子中与胰岛素受体（IR）结合的表位，并结合并激活该受体。这项工作使我们能够测试我们的合成和生物学方法，并证明其对于三官能支架衍生化合物的固相合成和组合文库测试的稳健性和可靠性。我们的努力导致发现了两种化合物，它们能够弱诱导IR的自磷酸化并在0.1 mM浓度下弱结合至该受体。尽管取得了这些温和的生物学结果，这些结果充分证明了调节蛋白质间相互作用的众所周知的困难，这项研究代表了针对IR的独特例子，该IR是为这一目的专门设计和合成的一组非肽化合物。我们相信这项工作可以为基于支架结构的下一代胰岛素模拟物的开发打开新的视野。

  DOI：

  10.1021/acscombsci.6b00132
• 作为产物：
  描述：

  2-甲基-2-硝基-1-丙醇 、 甲基磺酰氯 在 三乙胺 作用下， 以 二氯甲烷 为溶剂， 反应 0.5h， 生成 methanesulphonic acid (2-methyl-2-nitropropyl)-ester
  参考文献：
  名称：

  三功能支架衍生化合物作为胰岛素受体调节剂的文库的合成和评价

  摘要：

  我们设计了三功能支架衍生化合物的组合库，这些化合物是用30种不同的内部叠氮化物衍生化的。建议该化合物模拟胰岛素分子中与胰岛素受体（IR）结合的表位，并结合并激活该受体。这项工作使我们能够测试我们的合成和生物学方法，并证明其对于三官能支架衍生化合物的固相合成和组合文库测试的稳健性和可靠性。我们的努力导致发现了两种化合物，它们能够弱诱导IR的自磷酸化并在0.1 mM浓度下弱结合至该受体。尽管取得了这些温和的生物学结果，这些结果充分证明了调节蛋白质间相互作用的众所周知的困难，这项研究代表了针对IR的独特例子，该IR是为这一目的专门设计和合成的一组非肽化合物。我们相信这项工作可以为基于支架结构的下一代胰岛素模拟物的开发打开新的视野。

  DOI：

  10.1021/acscombsci.6b00132

文献信息

• Derivatives of 3-aminopropane-1,2-diol
  申请人：Ciba-Geigy Corporation

  公开号：US04497813A1

  公开（公告）日：1985-02-05

  Derivatives of 3-aminopropane-1,2-diol of the formula ##STR1## in which Ar represents optionally substituted aryl, n represents the number 0 or 1, and alk represents alkylene having 2 to 5 carbon atoms, the nitrogen atom and the oxygen atom, or, if n is zero, the phenyl radical, being separated from one another by at least two carbon atoms, and R.sub.1 and R.sub.2, independently of one another, each represents hydrogen or lower alkyl, or together they represent lower alkylene, oxa-lower alkylene, thia-lower alkylene, aza-lower alkylene or N-lower alkyl-aza-lower alkylene, and salts of such compounds, processes for their manufacture, medicaments containing the new compounds and their use for the treatment of Angina pectoris and cardiac arrhythmia, and as blood pressure-reducing agents, as well as for the treatment of reactive or endogenic states of depression.

  3-氨基丙烷-1,2-二醇的衍生物的化学式为##STR1##其中Ar代表可选择取代的芳基，n代表数字0或1，alk代表具有2至5个碳原子的烷基，氮原子和氧原子，或者如果n为零，则苯基与彼此至少相隔两个碳原子，而R.sub.1和R.sub.2，彼此独立地，每个代表氢或较低的烷基，或者它们一起代表较低的烷基，氧杂环较低的烷基，硫杂环较低的烷基，氮杂环较低的烷基或N-较低烷基-氮杂环较低的烷基，以及这类化合物的盐，其制备方法，含有新化合物的药物以及它们用于治疗心绞痛和心律失常，以及作为降血压剂，以及用于治疗反应性或内源性抑郁状态。
• N-Alkylated aminoalcohols and their pharmaceutical compositions useful
  申请人：Ciba-Geigy Corporation

  公开号：US04460580A1

  公开（公告）日：1984-07-17

  The invention relates to novel N-alkylated aminoalcohols of the formula ##STR1## in which Ar is a radical of aromatic character which is unsubstituted or substituted by hydroxyl, n has the values nought or 1 and Alk is an alkylene radical having 2 to 5 carbon atoms and the nitrogen atom and the oxygen atom or, if n is nought, the salicylamide radical are separated from one another by at least two carbon atoms in the straight-chain, and their salts. The main action of the novel compounds consists in a stimulation of cardiac .beta.-receptors; the compounds also effect a blockage of adrenergic .alpha.-receptors and a lowering in the blood pressure. They can therefore be used as .beta.-stimulators, especially as agents having a positively inotropic action for the treatment of cardiac insufficiency. Compounds of the formula I in which Ar is phenyl, unsubstituted or substituted by 1 or 2 hydroxyl groups, Alk is an alkylene radical having 2 to 4 carbon atoms, n has the value 1, and the nitrogen atom and the oxygen atom are separated from one another by at least 2 carbon atoms in the straight-chain, or salts thereof, exhibit effects on the central nervous system, which are reflected for example in the suppression of the symptoms of impaired sympathetic functions and in the suppression of lack of initiative. Such compounds of the formula I therefore can be used for the treatment of reactive or endogenic states of depression of varying degrees of severity, and also for the treatment of neurotic or other psychic disturbances involving loss of initiative and depressive disorders. Such compounds can also be used for the short-term treatment of post-partum or postoperative depression, or of depression of different origin. Such compounds of the formula I can be used on their own or in combination with other antidepressants.

  该发明涉及具有以下结构的新型N-烷基化氨基醇：##STR1##其中Ar是具有芳香性质的基团，未取代或被羟基取代，n的值为零或1，Alk是具有2至5个碳原子的烷基基团，氮原子和氧原子或者，如果n为零，则是水杨酰胺基团，在直链中至少被至少两个碳原子分开，以及它们的盐。这些新型化合物的主要作用在于刺激心脏β-受体；这些化合物还会阻断肾上腺素α-受体并降低血压。因此，它们可以用作β-激动剂，特别是作为具有正性肌力作用的药物，用于治疗心脏功能不全。其中Ar为苯基，未取代或被1或2个羟基取代，Alk是具有2至4个碳原子的烷基基团，n的值为1，氮原子和氧原子在直链中至少被至少2个碳原子分开，或其盐的化合物，对中枢神经系统产生影响，例如抑制受损交感神经功能的症状和抑制缺乏主动性。因此，这些具有结构I的化合物可用于治疗不同程度的反应性或内源性抑郁状态，以及用于治疗神经症或其他涉及缺乏主动性和抑郁障碍的精神紊乱。这些化合物还可用于短期治疗产后抑郁症或术后抑郁症，或不同起源的抑郁症。这些具有结构I的化合物可以单独使用或与其他抗抑郁药物联合使用。
• Synthesis of Benzimidazoles Condensed with, or Linked to, Nitroxides or Heterocyclic N-Oxides
  作者：Kálmán Hideg、Balázs Bognár、Tamás Kálai

  DOI：10.1055/s-2008-1067158

  日期：2008.8

  Pyrazino[1,2-a]benzimidazoles were synthesized starting from 2-acetyl-1H-benzimidazole. Benzimidazoles were linked to nitroxides by lithiation and ring-closure and cross-coupling reactions leading to pH-sensitive EPR probes and a paramagnetic analogue of antiviral agent HBB.

  从 2-乙酰基-1H-苯并咪唑开始合成了吡嗪并[1,2-a]苯并咪唑。苯并咪唑通过石化反应、闭环反应和交叉偶联反应与硝基化合物相连，从而得到了 pH 值敏感的 EPR 探针和抗病毒剂 HBB 的顺磁类似物。
• Novel phenoxyaliphatylphenyleneoxyalkyl esters and amides
  申请人：Ciba-Geigy Corporation

  公开号：US04818766A1

  公开（公告）日：1989-04-04

  The invention relates to novel 1,4-dihydropyridine-3-carboxylic acid phenoxyaliphatylphenyleneoxyalkyl esters of the formula ##STR1## in which Ac represents an acyl group, X represents oxy or optionally substituted imino, A represents a divalent aliphatic hydrocarbon radical interrupted by a group --X.sub.1 --Ph--X.sub.2 -- in which at least one of the radicals X.sub.1 and X.sub.2 represents oxy and a radical X.sub.1 or X.sub.2 that is other than oxy represents a direct bond, and Ph represents an optionally substituted phenylene radical, and R represents an optionally substituted phenyl, pyridyl or 1-oxidopyridyl, (1,3-dioxa)indanyl or benzofurazanyl radical, R.sub.1 represents an optionally substituted phenyl or indolyl radical, R.sub.2 represents an aliphatic hydrocarbon radical and R.sub.3 represents an aliphatic radical, cyano or amino, and acid addition salts thereof.

  本发明涉及一种新的1,4-二氢吡啶-3-羧酸苯氧基脂肪基苯氧基烷酯，其化学式为##STR1## 其中Ac代表酰基，X代表氧或可选的取代亚胺基，A代表被--X.sub.1 --Ph--X.sub.2 --所中断的二价脂肪烃基，其中至少一个基团X.sub.1和X.sub.2代表氧，而不是氧的基团X.sub.1或X.sub.2代表直接键，Ph代表可选的取代苯基基团，R代表可选的取代苯基、吡啶基或1-氧代吡啶基、(1,3-二氧杂)吲哚基或苯并呋喃基团，R.sub.1代表可选的取代苯基或吲哚基团，R.sub.2代表脂肪烃基团，R.sub.3代表脂肪基、氰基或氨基，以及其酸加成盐。
• Primary Amines And Derivatives Thereof As Modulators Of The 5-HT2A Serotonin Receptor Useful For The Treatment Of Disorders Related Thereto
  申请人：TEEGARDEN BRADLEY

  公开号：US20120270861A1

  公开（公告）日：2012-10-25

  The present invention pertains to certain compounds of Formula (Ia) and pharmaceutical compositions thereof that modulate the activity of the 5-HT 2A serotonin receptor. Compounds and pharmaceutical compositions thereof are directed to methods useful in the treatment of platelet aggreagation, coronary artery disease, myocardial infarction, transient ischemic attack, angina, stroke, atrial fibrillation, blood clot formation, asthma or symptoms thereof, agitation or a symptom thereof, behavioral disorders, drug induced psychosis, excitative psychosis, Gilles de la Tourette's syndrome, manic disorder, organic or NOS psychosis, psychotic disorder, psychosis, acute schizophrenia, chronic schizophrenia, NOS schizophrenia and related disorders, and sleep disorders, sleep disorders, diabetic-related disorders, progressive multifocal leukoencephalopathy and the like. The present invention also relates to the methods for the treatment of 5-HT 2A serotonin receptor associated disorders in combination with other pharmaceutical agents administered separately or together.

  本发明涉及式(Ia)的某些化合物及其制药组合物，这些化合物调节5-HT2A 5-羟色胺受体的活性。这些化合物及其制药组合物用于治疗血小板聚集、冠状动脉疾病、心肌梗死、短暂性脑缺血发作、心绞痛、中风、心房颤动、血栓形成、哮喘或其症状、激动或其症状、行为障碍、药物诱导的精神病、兴奋性精神病、Gilles de la Tourette综合征、躁狂障碍、器质性或非器质性精神病、精神病、急性精神分裂症、慢性精神分裂症、非特异性精神分裂症及相关疾病以及睡眠障碍、糖尿病相关疾病、进行性多灶性白质脑病等方面的治疗方法。本发明还涉及与其他药物分别或同时给予的联合治疗5-HT2A 5-羟色胺受体相关疾病的方法。