3-(甲基磺酰基)丙烷-1-胺盐酸盐 | 26209-83-6

• 分子结构分类: 有机化合物 - 有机硫化合物 - 磺酰类
• 中文名称: 3-(甲基磺酰基)丙烷-1-胺盐酸盐
• 中文别名: 3-(甲磺酰基)丙-1-胺盐酸盐
• 英文名称: 3-(methylsulfonyl)propan-1-amine
• 英文别名: 3-aminopropranesulfonic acid；3-methylsulfonylpropan-1-amine
• CAS: 26209-83-6
• 化学式: C₄H₁₁NO₂S
• mdl: MFCD06656622
• 分子量: 137.203
• InChiKey: QUYFSHOLLKVPGX-UHFFFAOYSA-N

物化性质

• 熔点：
  44 °C
• 沸点：
  165-168 °C(Press: 6 Torr)
• 密度：
  1.150±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1
• 重原子数：
  8
• 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：
  68.5
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2923900090

反应信息

• 作为反应物：
  描述：

  3-(甲基磺酰基)丙烷-1-胺盐酸盐 在 potassium permanganate 、 水 作用下， 生成 3-(甲磺酰基)丙酸
  参考文献：
  名称：

  Schneider, Justus Liebigs Annalen der Chemie, 1910, vol. 375, p. 248

  摘要：

  DOI：
• 作为产物：
  描述：

  2-<(3-Methylsulfonyl)propyl>-1H-isoindole-1,3(2H)-dione 在 一水合肼 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 3-(甲基磺酰基)丙烷-1-胺盐酸盐
  参考文献：
  名称：

  Synthesis of Novel Analogs of Acetyl Coenzyme A: Mimics of Enzyme Reaction Intermediates

  摘要：

  An improved method for the synthesis of analogs of coenzyme A (CoA) and its thioesters, which are modified in the thiol or thioester moiety, has been developed using a combination of chemical and enzymatic reactions, The enzymes catalyzing the last two steps of CoA biosynthesis were used to prepare a CoA analog (1c) in which an amide bond is replaced by a thioester bond and the thiol group is replaced by a methyl group. Reaction of 1c with a primary amine in aqueous solution results in aminolysis of the thioester linkage to form the desired CoA analog. Reaction with different amines permits the introduction of a variety of functional groups in place of the nor mal thiol or thioester group. This methodology has been used in the synthesis of five new analogs of acetyl-CoA in which the thioester sulfur is replaced by a methylene group and the acetyl group is replaced by carboxylate (14a), nitro (14b), carboxamide (14c), methyl sulfoxide (14d), and methyl sulfone (14e) groups. 14a-c were designed to mimic the possible enolate or enol intermediate in the reaction of citrate synthase and related enzymes. 14a and 14c are potent inhibitors of citrate synthase, with K-i values 1000- and 570-fold lower than the K-m for acetyl-CoA, respectively. CD titrations indicate that 14a and 14c have low affinity for citrate synthase in the absence of oxaloacetate, consistent with their recognition as enol or enolate analogs. 14b is a poor inhibitor of citrate synthase, with affinity slightly lower than that for acetyl-CoA. These results are consistent with generation of the enol form of acetyl-CoA as the nucleophilic intermediate in the reaction of citrate synthase. 14d and 14e were designed to mimic the tetrahedral intermediate or transition state in the reaction of chloramphenicol acetyltransferase and related acetyl-CoA-dependent acetyltransferases. Both compounds are poor inhibitors of chloramphenicol acetyltransferase, with affinities slightly lower than that of acetyl-CoA, indicating that these compounds are not good mimics of the enzyme-bound tetrahedral intermediate or transition state.

  DOI：

  10.1021/ja00090a014

文献信息

• Succinoylamino hydroxyethylamino sulfonyl urea derivatives useful as retroviral protease inhibitors
  申请人：G.D. Searle & Co.

  公开号：US06337398B1

  公开（公告）日：2002-01-08

  Succinoylamino hydroxyethylamino sulfonyl urea derivatives of the formula: wherein the substituents are as defined in the specification, are effective as retroviral protease inhibitors, and in particular as inhibitors of HIV protease.

  丁酰氨基羟基乙氨基磺酰脲衍生物的公式如下： 其中，取代基的定义如说明书所述，这些衍生物作为逆转录病毒蛋白酶抑制剂是有效的，尤其是作为HIV蛋白酶的抑制剂。
• 一类IDO抑制剂及其应用
  申请人：上海华汇拓医药科技有限公司

  公开号：CN109897011A

  公开（公告）日：2019-06-18

  本发明实施例提供了通式(I)的化合物或其药学上可接受的盐、立体异构体、互变异构形式、多晶型物、溶剂合物、前药、代谢物或同位素衍生物，其中取代基R1、R2、R0的定义如说明书所记载；本发明所合成的小分子IDO抑制剂药效作用显著，安全性高，将有希望成为一类新型的抗肿瘤药物。
• [EN] 7- OR 8-HYDROXY-ISOQUINOLINE AND 7- OR 8-HYDROXY-QUINOLINE DERIVATIVES AS ALPHA-1 -ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1 -ANTITRYPSIN DEFICIENCY (AATD)<br/>[FR] DÉRIVÉS DE 7-OU 8-HYDROXY-ISOQUINOLÉINE ET DE 7-OU 8-HYDROXY-QUINOLÉINE EN TANT QUE MODULATEURS D'ALPHA-1-ANTITRYPSINE POUR TRAITER UNE DÉFICIENCE EN ALPHA-1-ANTITRYPSINE (AATD)
  申请人：VERTEX PHARMA

  公开号：WO2021203028A1

  公开（公告）日：2021-10-07

  7- or 8-hydroxy-isoquinoline and 7- or 8-hydroxy-quinoline derivatives as alpha-l-antitrypsin modulators for treating alpha-l-antitrypsin deficiency (AATD).

  7-或8-羟基异喹啉和7-或8-羟基喹啉衍生物作为治疗α-1-抗胰蛋白酶缺乏症（AATD）的α-1-抗胰蛋白酶调节剂。
• Nitrogen-containing aromatic derivatives
  申请人：——

  公开号：US20040053908A1

  公开（公告）日：2004-03-18

  Compounds represented by the following general formula: 1 [wherein A g is an optionally substituted 5- to 14-membered heterocyclic group, etc.; X g is —O—, —S—, etc.; Y g is an optionally substituted C 6 - 14 aryl group, an optionally substituted 5- to 14-membered heterocyclic group, etc.; and T g1 is a group represented by the following general formula: 2 (wherein E g is a single bond or —N(R g2 )—, R g1 and R g2 each independently represent a hydrogen atom, an optionally substituted C 1-6 alkyl group, etc. and Z g represents a C 1-8 alkyl group, a C 3-8 alicyclic hydrocarbon group, a C 6-14 aryl group, etc.)], salts thereof or hydrates of the foregoing.

  由以下一般式表示的化合物： 1 [其中 A g 是可选择地取代的5-至14-成员杂环基团，等等；X g 是—O—，—S—，等等；Y g 是可选择地取代的C 6 - 14 芳基团，可选择地取代的5-至14-成员杂环基团，等等；以及 T g1 是由以下一般式表示的基团： 2 [其中 E g 是单键或—N(R g2 )—，R g1 和R g2 各自独立地表示氢原子，可选择地取代的C 1-6 烷基基团，等等，Z g 表示C 1-8 烷基基团，C 3-8 脂环烃基团，C 6-14 芳基团，等等]， 其盐或上述化合物的水合物。
• PHARMACEUTICAL COMPOSITION FOR THE TREATMENT OF DIABETES
  申请人：Ajinomoto Co., Inc.

  公开号：US20160046592A1

  公开（公告）日：2016-02-18

  An object is to provide a novel compound which has a glycogen synthase activation ability, but activates a receptor PPAR to a low degree and is highly safe. Provided is a compound represented by the following general formula (I) or a pharmaceutically acceptable salt thereof: wherein Ar 1 represents any one of the following rings (II) and (III): wherein R 2 represents an alkyl group, and R 3 represents a hydrogen atom or an alkyl group, and R 1 represents any one of the following substituents (IV) and (V):

  提供一种新型化合物，具有糖原合成酶激活能力，但对PPAR受体的激活程度较低且具有高度安全性。提供的化合物由以下一般式(I)或其药学上可接受的盐表示：其中Ar1代表以下环之一(II)和(III)：其中R2代表烷基基团，R3代表氢原子或烷基基团，R1代表以下取代基之一(IV)和(V)：