3-(N-propylamino)propanoic acid | 16270-07-8

• 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: 3-(N-propylamino)propanoic acid
• 英文别名: 3-N-Propylamino-propionsaeure；N-mono-n-propyl-β-alanine；β-propylaminopropionic acid；3-(Propylazaniumyl)propanoate
• CAS: 16270-07-8
• 化学式: C₆H₁₃NO₂
• mdl: MFCD06208117
• 分子量: 131.175
• InChiKey: IRIOFUVLMGOLFE-UHFFFAOYSA-N

物化性质

• 熔点：
  150.5-151.5 °C
• 沸点：
  235.6±23.0 °C(Predicted)
• 密度：
  1.001±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.1
• 重原子数：
  9
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.833
• 拓扑面积：
  49.3
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  3-(N-propylamino)propanoic acid 在 甲酸 、 磷酸 、 三氯化磷 作用下， 以 氯苯 为溶剂， 反应 22.0h， 生成 3-(N-methyl-N-n-propylamino)-1-hydroxypropane-1,1-diphosphonic acid
  参考文献：
  名称：

  Highly Potent Geminal Bisphosphonates. From Pamidronate Disodium (Aredia) to Zoledronic Acid (Zometa)

  摘要：

  Bisphosphonates (BP) are pyrophosphate analogues in which the oxygen in P-O-P has been replaced by a carbon, resulting in a metabolically stable P-C-P structure. Pamidronate (1b, Novartis), a second-generation BP, was the starting point for extensive SAR studies. Small changes of the structure of pamidronate lead to marked improvements of the inhibition of osteoclastic resorption potency. Alendronate (1c, MSD), with an extra methylene group in the N-alkyl chain, and olpadronate (1h, Gador), the N,N-dimethyl analogue, are about 10 times more potent than pamidronate. Extending one of the N-methyl groups of olpadronate to a pentyl substituent leads to ibandronate (1k, Roche, Boehringer-Mannheim), which is the most potent close analogue of pamidronate. Even slightly better antiresorptive potency is achieved with derivatives having a phenyl group linked via a short aliphatic tether of three to four atoms to nitrogen, the second substituent being preferentially a methyl group (e.g., 4g, 4j, 5d, or 5r). The most potent BPs are found in the series containing a heteroaromatic moiety (with at least one nitrogen atom), which is linked via a single methylene group to the geminal bisphosphonate unit. Zoledronic acid (6i), the most potent derivative, has an ED50 of 0.07 mg/kg in the TPTX in vivo assay after sc administration. It not only shows by far the highest therapeutic ratio when comparing resorption inhibition with undesired inhibition of bone mineralization but also exhibits superior renal tolerability. Zoledronic acid (6i) has thus been selected for clinical development under the registered trade name Zometa. The results of the clinical trials indicate that low doses are both efficacious and safe for the treatment of tumor-induced hypercalcemia, Paget's disease of bone, osteolytic metastases, and postmenopausal osteoporosis.

  DOI：

  10.1021/jm020819i
• 作为产物：
  描述：

  ethyl 3-n-propylaminopropionate 在 水 、 sodium hydroxide 作用下， 以 四氢呋喃 为溶剂， 生成 3-(N-propylamino)propanoic acid
  参考文献：
  名称：

  氟乐灵半抗原及其制备方法和应用

  摘要：

  本发明公开了氟乐灵半抗原及其制备方法和应用，其具有如下结构式：其中，R为‑(CH2)n‑，n＝1‑4或‑CH＝CH‑或本发明的六种半抗原均是在氨基位点上衍生连接手臂，具有活性羧基，与载体蛋白偶联后能使机体产生效价高，能识别氟乐灵农药共有结构的特异抗体。本发明的半抗原化合物，不仅合成方法简便、纯度较高，而且能应用于合成适于动物免疫的抗原体系，弥补了国内氟乐灵免疫学检测方法技术领域的空白，为氟乐灵免疫检测方法的进一步发展奠定了基础。

  公开号：

  CN106928079B

文献信息

• [EN] 3-(3,5-DISUBSTITUTED-4-HYDROXYPHENYL)PROPIONAMIDE DERIVATIVES AS CATHEPSIN B INHIBITORS<br/>[FR] DERIVES DE 4-HYDROXYPHENYL-3-3,5-DISUBSTITUE-PROPIONAMIDE EN TANT QU'INHIBITEURS DE CATHEPSINE B
  申请人：AXYS PHARM INC

  公开号：WO2004026851A1

  公开（公告）日：2004-04-01

  The present invention is directed to novel 3-(3,5-disubstituted-4-hydroxyphenyl)-propionamide derivatives that are inhibitors of Cathepsin B. Pharmaceutical composition comprising these compounds, method of treating diseases mediated by Cathepsin B, utilizing these compounds and methods of preparing these compounds are also disclosed.

  本发明涉及一种新型的3-(3,5-二取代-4-羟基苯基)-丙酰胺衍生物，它们是Cathepsin B的抑制剂。还公开了包含这些化合物的药物组合物、治疗由Cathepsin B介导的疾病的方法、利用这些化合物的方法以及制备这些化合物的方法。
• Novel compounds and compositions as protease inhibitors
  申请人：——

  公开号：US20020052378A1

  公开（公告）日：2002-05-02

  The present invention relates to novel cysteine protease inhibitors of Formula I: 1 the pharmaceutically acceptable salts and N-oxide derivatives thereof, their use as therapeutic agents and methods of making them.

  本发明涉及一种新型半胱氨酸蛋白酶抑制剂的化学式I： 1 其药用盐及N-氧化物衍生物，它们作为治疗剂的用途以及制备它们的方法。
• Alkyl-containing 5-acylindolinones, the preparation thereof and their use as medicaments
  申请人：Heckel Armin

  公开号：US20050209302A1

  公开（公告）日：2005-09-22

  The present invention relates to alkyl-containing 5-acylindolinones of general formula wherein R 1 to R 3 are defined herein, the tautomers, the enantiomers, the diastereomers, the mixtures thereof and the salts thereof, which have valuable pharmacological properties, particularly an inhibiting effect on protein kinases, particularly an inhibiting effect on the activity of glycogen synthase kinase (GSK-3).

  本发明涉及一般式的含烷基的5-酰基吲哚酮 其中R1至R3在此处定义，其互变异构体、对映异构体、非对映异构体、它们的混合物及其盐，具有有价值的药理特性，特别是对蛋白激酶具有抑制作用，特别是对糖原合成酶激酶（GSK-3）活性具有抑制作用。
• Bna Conjugates and Methods of Use
  申请人：James Kenneth D.

  公开号：US20080207505A1

  公开（公告）日：2008-08-28

  Modified natriuretic compounds and conjugates thereof are disclosed in the present invention. In particular, conjugated forms of hBNP are provided that include at least one modifying moiety attached thereto. The modified natriuretic compound conjugates retain activity for stimulating cGMP production, binding to NPR-A receptor, decreasing arterial blood pressure and in some embodiments an improved half-life in circulation as compared to unmodified counterpart natriuretic compounds. Oral, parenteral, enteral, subcutaneous, pulmonary, and intravenous forms of the compounds and conjugates may be prepared as treatments and/or therapies for heart conditions particularly congestive heart failure. Modifying moieties comprising oligomeric structures having a variety of lengths and configurations are also disclosed. Analogs of the hBNP compound are also disclosed, having an amino acid sequence that is other than the native sequence.

  本发明公开了改性利钠肽化合物及其共轭物。具体而言，提供了至少连接有一个修饰基团的hBNP的共轭形式。这些改性利钠肽化合物共轭物保留了刺激cGMP产生、结合NPR-A受体、降低动脉血压以及在某些实施例中相对于未经改性的对应利钠肽化合物具有改善的循环半衰期的活性。这些化合物和共轭物的口服、静脉注射、肠内、皮下、肺部和静脉形式可作为治疗和/或治疗心脏病症，特别是充血性心力衰竭的治疗。还公开了包含具有各种长度和构型的寡聚结构的修饰基团。此外，还公开了hBNP化合物的类似物，其氨基酸序列与天然序列不同。
• [EN] METHOD OF PREPARING GLYCOL ESTERS WITH LOW COLOR AND PEROXIDE CONTENT<br/>[FR] PROCÉDÉ DE PRÉPARATION D'ESTERS DE GLYCOL À FAIBLE TENEUR EN COULEUR ET EN PEROXYDE
  申请人：SIBUR HOLDING PUBLIC JOINT STOCK CO

  公开号：WO2019059800A1

  公开（公告）日：2019-03-28

  The present invention relates to the field of preparing glycol esters used as plasticizers in the manufacture of films for multilayered glass. In particular, the invention relates to a method for preparing triethylene glycol ester of 2-ethylhexanoic acid. The claimed method includes the steps of esterification, clarification of a crude ester by treating thereof with hydrogen peroxide and alkali metal metasilicate at a temperature of from 70 to 200ºC, inclusive, and allowing to stand for 0.5 to 1.5 hours, inclusive, to obtain a clarified ester, neutralization of acidic compounds in the clarified ester by treating thereof with an alkaline solution, filtration, and drying of the ester. The technical result of the invention is the development of an economical and safe method of preparing glycol esters that are characterized by low values of color, acidity and peroxide content.

  本发明涉及制备用作多层玻璃薄膜制造中的增塑剂的乙二醇酯的领域。具体而言，该发明涉及一种制备2-乙基己酸三乙二醇酯的方法。所述方法包括酯化、通过在70至200ºC的温度下用过氧化氢和硅酸碱金属处理粗酯以澄清粗酯，并静置0.5至1.5小时以获得澄清酯，通过用碱性溶液处理澄清酯中的酸性化合物进行中和，过滤和干燥酯。该发明的技术效果是开发一种经济且安全的制备乙二醇酯的方法，其特点是颜色、酸度和过氧化物含量低。