4-氨基苯丙酰胺 | 38710-60-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4-氨基苯丙酰胺
• 英文名称: 3-(4-aminophenyl)propanamide
• CAS: 38710-60-0
• 化学式: C₉H₁₂N₂O
• mdl: MFCD11638247
• 分子量: 164.207
• InChiKey: WICPORLNXBPBPR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.222
• 拓扑面积：
  69.1
• 氢给体数：
  2
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  4-氨基苯丙酰胺 在 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 1,4-二氧六环 、 二氯甲烷 、 水 为溶剂， 反应 6.0h， 生成 3-[4-amino-3-(4,4-dimethyl-cyclohex-1-enyl)-phenyl]-propionamide
  参考文献：
  名称：

  Enhancement of kinase selectivity in a potent class of arylamide FMS inhibitors

  摘要：

  Structure-activity relationship (SAR) studies on a highly potent series of arylamide FMS inhibitors were carried out with the aim of improving FMS kinase selectivity, particularly over KIT. Potent compound 17r (FMS IC50 0.7 nM, FMS cell IC50 6.1 nM) was discovered that had good PK properties and a greater than fivefold improvement in selectivity for FMS over KIT kinase in a cellular assay relative to the previously reported clinical candidate 4. This improved selectivity was manifested in vivo by no observed decrease in circulating reticulocytes, a measure of bone safety, at the highest studied dose. Compound 17r was highly active in a mouse pharmacodynamic model and demonstrated disease-modifying effects in a dose-dependent manner in a strep cell wall-induced arthritis model of rheumatoid arthritis in rats. (C) 2013 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2013.09.061
• 作为产物：
  描述：

  3-(4-amino-phenyl)-propionic acid methyl ester sulfate 在 氨 作用下， 以 水 为溶剂， 反应 16.0h， 以81%的产率得到4-氨基苯丙酰胺
  参考文献：
  名称：

  INHIBITORS OF C-FMS KINASE

  摘要：

  该发明涉及以下式I的化合物：其中Z、X、J、R2和W如规范中所述，以及其溶剂合物、水合物、互变异构体和药用可接受的盐，这些化合物抑制蛋白酪氨酸激酶，特别是c-fms激酶。提供了治疗自身免疫疾病的方法；以及具有炎症成分的疾病；治疗卵巢癌、子宫癌、乳腺癌、结肠癌、胃癌、毛细胞白血病和非小细胞肺癌的转移；以及治疗疼痛，包括肿瘤转移或骨关节炎引起的骨骼疼痛，或内脏、炎症和神经源性疼痛；以及骨质疏松症、Paget病和其他骨吸收导致发病率的疾病，包括关节炎、假体失败、破骨性肉瘤、骨髓瘤和肿瘤转移至骨骼的方法，使用式I的化合物也提供了。

  公开号：

  US20070249649A1

文献信息

• INHIBITORS OF C-FMS KINASE
  申请人：Illig Carl R.

  公开号：US20070249649A1

  公开（公告）日：2007-10-25

  The invention is directed to compounds of Formula I: wherein Z, X, J, R 2 and W are set forth in the specification, as well as solvates, hydrates, tautomers and pharmaceutically acceptable salts thereof, that inhibit protein tyrosine kinases, especially c-fms kinase. Methods of treating autoimmune diseases; and diseases with an inflammatory component; treating metastasis from ovarian cancer, uterine cancer, breast cancer, colon cancer, stomach cancer, hairy cell leukemia and non-small lung carcinoma; and treating pain, including skeletal pain caused by tumor metastasis or osteoarthritis, or visceral, inflammatory, and neurogenic pain; as well as osteoporosis, Paget's disease, and other diseases in which bone resorption mediates morbidity including arthritis, prosthesis failure, osteolytic sarcoma, myeloma, and tumor metastasis to bone with the compounds of Formula I, are also provided.

  该发明涉及以下式I的化合物：其中Z、X、J、R2和W如规范中所述，以及其溶剂合物、水合物、互变异构体和药用可接受的盐，这些化合物抑制蛋白酪氨酸激酶，特别是c-fms激酶。提供了治疗自身免疫疾病的方法；以及具有炎症成分的疾病；治疗卵巢癌、子宫癌、乳腺癌、结肠癌、胃癌、毛细胞白血病和非小细胞肺癌的转移；以及治疗疼痛，包括肿瘤转移或骨关节炎引起的骨骼疼痛，或内脏、炎症和神经源性疼痛；以及骨质疏松症、Paget病和其他骨吸收导致发病率的疾病，包括关节炎、假体失败、破骨性肉瘤、骨髓瘤和肿瘤转移至骨骼的方法，使用式I的化合物也提供了。
• Design and Synthesis of Selective Phosphodiesterase 4D (PDE4D) Allosteric Inhibitors for the Treatment of Fragile X Syndrome and Other Brain Disorders
  作者：Mark E. Gurney、Richard A. Nugent、Xuesheng Mo、Janice A. Sindac、Timothy J. Hagen、David Fox、James M. O’Donnell、Chong Zhang、Ying Xu、Han-Ting Zhang、Vincent E. Groppi、Marc Bailie、Ronald E. White、Donna L. Romero、A. Samuel Vellekoop、Joel R. Walker、Matthew D. Surman、Lei Zhu、Robert F. Campbell

  DOI：10.1021/acs.jmedchem.9b00193

  日期：2019.5.23

  pyridine- and pyrimidine-based allosteric inhibitors are reported that achieve PDE4D subtype selectivity through recognition of a single amino acid difference on a key regulatory domain, known as UCR2, that opens and closes over the catalytic site for cAMP hydrolysis. The design and optimization of lead compounds was based on iterative analysis of X-ray crystal structures combined with metabolite identification

  据报道，新的基于吡啶和嘧啶的变构抑制剂通过识别关键调控域（称为 UCR2）上的单个氨基酸差异来实现 PDE4D 亚型选择性，该域在 cAMP 水解的催化位点上打开和关闭。先导化合物的设计和优化基于 X 射线晶体结构的迭代分析和代谢物鉴定。对 PDE4D 的活化二聚体形式的选择性在新物体识别的小鼠模型中提供了有效的记忆增强效果，与缺乏亚型选择性的早期 PDE4 抑制剂相比，具有更高的耐受性和更低的血管毒性。先导化合物 28 (BPN14770) 已进入治疗脆性 X 综合征的中期人类 2 期临床试验。
• 液晶取向剂、液晶取向膜、液晶显示元件、相位 差膜及其制造方法、聚合物以及化合物
  申请人：JSR株式会社

  公开号：CN104109538B

  公开（公告）日：2018-01-16

  本发明提供了液晶取向剂、液晶取向膜、液晶显示元件、相位差膜及其制造方法、聚合物以及化合物。本发明提供一种能够获得电压保持率等各种特性良好的液晶显示元件的液晶取向剂。本发明的液晶取向剂中含有具有下述式(1)所表示的结构的聚合物(P)作为聚合物成分。(R1为氢原子或者碳数1～30的1价烃基，X1及X2分别独立地为2价有机基；2个“*”表示与相互不同的基团键结的结合键)。
• Intranasal cyclic peptide formulations
  申请人：——

  公开号：US20010038824A1

  公开（公告）日：2001-11-08

  The present invention relates to a nasally administrable composition of a physiologically active cyclic peptide and pharmaceutically acceptable salts thereof that is prepared by homogeneously dispersing a physiologically active cyclic peptide such as antifungal cyclic peptides (aerothricins, echinocandin analogs, pneumocandin analogs, and aureobacidines), antibacterial cyclic peptides (e.g. vancomycin, daptomycin), cyclosporin A, lanreotide, vapreotide, vasopressin antagonist (U.S. Pat. No. 5,095,003) and eptifibatide in unique carrier, i.e. a physiologically acceptable powdery or crystalline carrier containing a water insoluble polyvalent metal carrier, or organic carrier having a mean particle size of 20 to 500 &mgr;m, in the presence or absence of an absorption enhancer and by homogeneously adsorbing onto the carrier, and its use for therapeutic treatment of disease such as systemic fungal infections by intranasal administration. The composition can be nasally administered in powder form.

  本发明涉及一种鼻腔可给药的生理活性环肽及其药学上可接受的盐的组合物，该组合物通过将生理活性环肽（如抗真菌环肽（气菌素、伊曲康定类似物、肺孢子菌素类似物和金黄色细菌素）、抗菌环肽（如万古霉素、达托霉素）、环孢霉素A、兰雷罗肽、瓦普雷罗肽、抗利尿激素拮抗剂（美国专利号5,095,003）和依普利贝肽）均匀分散在独特的载体中制备而成，即含有水不溶性多价金属载体或平均粒径为20至500微米的有机载体的生理上可接受的粉状或结晶载体中，存在或不存在吸收增强剂，通过均匀吸附到载体上，并用于通过鼻内给药治疗疾病，如系统真菌感染。该组合物可以以粉剂形式鼻腔给药。
• FATTY ACID DERIVATIVES FOR ORAL ADMINISTRATION ENDOWED WITH HIGH PALATABILITY
  申请人：Berni Canani Roberto

  公开号：US20110098319A1

  公开（公告）日：2011-04-28

  The invention relates to novel derivatives of short-chain fatty acids, in particular derivatives of butyric acid, useful for all the known clinical applications of the latter, which show physicochemical characteristics suitable for an easy oral administration, being devoid of the unpleasant organoleptic properties that characterize butyrate. The new compounds are amide derivatives which can be synthesized by reaction of the corresponding fatty acid halide with a naturally occurring amino acid, phenylalanine or a suitable derivative thereof, and which are in a poorly hygroscopic, easily weighable form, stable to acids and alkalis and able to release the acid at the small and large bowel level in a constant manner over time. They do not have disagreeable odors and are practically tasteless, thus allowing the manufacture of preparations for oral administration also suitable for the therapy of chronic diseases and in the pediatric field.

  本发明涉及一种新型的短链脂肪酸衍生物，特别是丁酸衍生物，适用于后者的所有已知临床应用，具有适合易于口服的物理化学特性，不具有表征丁酸的不愉快的感官特性。新的化合物是酰胺衍生物，可以通过相应的脂肪酸卤化物与天然存在的氨基酸苯丙氨酸或其适当衍生物反应合成，并且以不易吸湿，易于称重的形式存在，对酸和碱稳定，并且能够在时间上以恒定的方式释放酸到小肠和大肠水平。它们没有不愉快的气味，几乎没有味道，因此可以制备适合于口服治疗慢性疾病和儿科领域的制剂。