3-氨基苯甲酸甲酯盐酸盐 | 87360-24-5

• 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: 3-氨基苯甲酸甲酯盐酸盐
• 英文名称: methyl 3-aminobenzoate hydrochloride
• 英文别名: 3-amino-benzoic acid methyl ester hydrochloride；(3-Methoxycarbonylphenyl)azanium;chloride；(3-methoxycarbonylphenyl)azanium;chloride
• CAS: 87360-24-5
• 化学式: C₈H₉NO₂*ClH
• 分子量: 187.626
• InChiKey: DGBOCKNQMSJDRK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.48
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  52.3
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2922499990

反应信息

• 作为反应物：
  描述：

  3-氨基苯甲酸甲酯盐酸盐 在 sodium hydroxide 作用下， 生成 3-苯基苯甲酸
  参考文献：
  名称：

  110.均质芳族取代。第二十一部分。苯并三卤化物的芳基化

  摘要：

  DOI：

  10.1039/jr9610000554
• 作为产物：
  描述：

  间氨基苯甲酸 在 氯化亚砜 作用下， 以 甲醇 为溶剂， 生成 3-氨基苯甲酸甲酯盐酸盐
  参考文献：
  名称：

  Aminobenzoic and aminocyclohexane-carboylic acid compounds, compositions, and their method of use

  摘要：

  其中X的化合物抑制中性内肽酶的作用。因此，这些化合物产生利尿、排钠和降低血压的效果，同时在治疗充血性心力衰竭、缓解疼痛和腹泻时对哺乳动物宿主有用。

  公开号：

  EP0361365A1
• 作为试剂：
  描述：

  3-氨基苯甲酸甲酯 在 3-氨基苯甲酸甲酯盐酸盐 作用下， 以 二苯醚 、 甲苯 为溶剂， 反应 1.0h， 生成 4-氧代-2-苯基-1H-喹啉-7-羧酸甲酯
  参考文献：
  名称：

  A Systematic Approach to the Optimization of Substrate-Based Inhibitors of the Hepatitis C Virus NS3 Protease:  Discovery of Potent and Specific Tripeptide Inhibitors

  摘要：

  The inadequate efficacy and tolerability of current therapies for the infectious liver disease caused by the hepatitis C virus have warranted significant efforts in the development of new therapeutics. We have previously reported competitive peptide inhibitors of the NS3 serine protease based on the N-terminal cleavage products of peptide substrates. A detailed study of the interactions of these substrate-based inhibitors with the different subsites of the serine protease active site led to the discovery of novel residues that increased the affinity of the inhibitors. In this paper, we report the combination of the best binding residues in a tetrapeptide series that resulted in extremely potent inhibitors that bind exquisitely well to this enzyme. A substantial increase in potency was obtained with the simultaneous introduction of a 7-methoxy-2-phenyl-4-quinolinoxy moiety at the gamma-position of the P2 proline and a tert-leucine as a P3 residue. The increase in potency allowed for the further truncation and led to the identification of tripeptide inhibitors. Structure activity relationship studies on this inhibitor series led to the identification of carbamate-containing tripeptides that are able to inhibit replication of subgenomic HCV RNA in cell culture with potencies below 1 muM. This inhibitor series has the potential of becoming antiviral agents for the treatment of HCV infections.

  DOI：

  10.1021/jm0494523

文献信息

• Triazolo-β-aza-ε-amino acid and its aromatic analogue as novel scaffolds for β-turn peptidomimetics
  作者：Subhendu Sekhar Bag、Subhashis Jana、Afsana Yashmeen、Suranjan De

  DOI：10.1039/c4cc08414d

  日期：——

  Triazolo-β-aza-ε-amino acid and its aromatic analogue (AlTAA/ArTAA) in the peptide backbone mark a novel class of conformationally constrained molecular scaffolds to induce β-turn conformations. This was demonstrated in a Leu-enkephalin analogue and in other designed peptides.

  Triazolo-β-aza-ε-氨基酸及其芳香类似物（AlTAA/ArTAA）在肽骨架中标记了一类新型的构象受限分子支架，可诱导β-转角构象。这在Leu-enkephalin类似物和其他设计的肽中得到了证明。
• Gastrin and cholecystokinin receptor ligands
  申请人：James Black Foundation Limited

  公开号：US06479531B1

  公开（公告）日：2002-11-12

  Compounds of formula (I) and their pharmaceutically acceptable salts are ligands at gastrin and/or cholecystokinin receptors. X and Y are independently ═N—, —N(R5)—═CH—, —S— or —O—. n is from 1 to 4; R1 is H or C1 to C15 hydrocarbyl R2 is selected from H, Me, Et, Pr and OH, R3 is selected from H, Me, Et and Pr; or (when n is greater than 1) each R3 is independently selected from H, Me, Et and Pr, or two R3 groups on neighbouring carbon atoms are linked to form a C3 to C6 carbocylic ring, or R2 and R3 on the same carbon atom together represent an ═O group; R4 is C1 to C15 hydrocarbyl Z is —(NR7)a—CO—(NR8)b— (wherein a is 0 or 1, b is 0 or 1, —CO—NR7—CH2—CO—NR8—, —CO—O—, —CH2—CH2—, —CH═CH—, —CH2—NR8— or a bond; Q is —R9V, or (II), (wherein R9 is —CH2—; —CH2—CH2—; or (III), R9 and R8, together with the nitrogen atom to which R8 is attached, form a piperidine or pyrrolidine ring which is substituted by V; V is —CO—NH—SO2—Ph, —SO2—NH—CO—Ph, —CH2OH, or a group of the formula —R10U, (wherein U is —COOH, tetrazolyl, —CONHOH— or —SO3H; and R10 is a bond; C1 to C6 hydrocarbylene, —O—(C1 to C3 alkylene)—; —SO2NR11—CHR12—; —CO—NR11—CHR12—, or —NH—(CO)c—CH2—, c being 0 or 1).

  化合物的结构式（I）及其药学上可接受的盐是胃泌素和/或胆囊收缩素受体的配体。X和Y独立地为═N—，—N(R5)—═CH—，—S—或—O—。n为1至4；R1为H或C1至C15烃基；R2从H，Me，Et，Pr和OH中选择；R3从H，Me，Et和Pr中选择；或（当n大于1时）每个R3独立地从H，Me，Et和Pr中选择，或相邻碳原子上的两个R3基团连接形成C3至C6碳环，或R2和R3在同一碳原子上共同表示一个═O基团；R4为C1至C15烃基；Z为—(NR7)a—CO—(NR8)b—（其中a为0或1，b为0或1，—CO—NR7—CH2—CO—NR8—，—CO—O—，—CH2—CH2—，—CH═CH—，—CH2—NR8—或键；Q为—R9V，或（II），（其中R9为—CH2—；—CH2—CH2—；或（III），R9和R8，与R8连接的氮原子一起形成被V取代的哌啶或吡咯烷环；V为—CO—NH—SO2—Ph，—SO2—NH—CO—Ph，—CH2OH，或具有式—R10U的基团，（其中U为—COOH，四唑基，—CONHOH—或—SO3H；R10为键；C1至C6烃基亚烷，—O—（C1至C3亚烷基）—；—SO2NR11—CHR12—；—CO—NR11—CHR12—，或—NH—（CO）c—CH2—，其中c为0或1）。
• A Convenient Synthesis of Amino Acid Methyl Esters
  作者：Jiabo Li、Yaowu Sha

  DOI：10.3390/molecules13051111

  日期：——

  A series of amino acid methyl ester hydrochlorides were prepared in good to excellent yields by the room temperature reaction of amino acids with methanol in the presence of trimethylchlorosilane. This method is not only compatible with natural amino acids, but also with other aromatic and aliphatic amino acids.

  在三甲基氯硅烷存在下，通过氨基酸与甲醇的室温反应，制备了一系列氨基酸甲酯盐酸盐，收率良好至极好。该方法不仅与天然氨基酸相容，而且与其他芳香族和脂肪族氨基酸相容。
• Investigating Bicyclobutane–Triazolinedione Cycloadditions as a Tool for Peptide Modification
  作者：Brett D. Schwartz、Aidan P. Smyth、Philippe E. Nashar、Michael G. Gardiner、Lara R. Malins

  DOI：10.1021/acs.orglett.1c04071

  日期：2022.2.18

  cycloaddition reactions with a diverse array of triazolinedione reagents. The synthesis of an orthogonally protected urazole building block enabled the facile preparation of amino acid- and peptide-derived triazolinediones that undergo cycloaddition reactions to afford novel peptide conjugates. The additive-free and fully atom-economical nature of the transformation is a promising starting point for

  酰基双环丁烷与多种三唑啉二酮试剂进行应变促进的环加成反应。正交保护的 urazole 结构单元的合成使得能够轻松制备氨基酸和肽衍生的三唑啉二酮，这些三唑啉二酮经历环加成反应以提供新型肽缀合物。转化的无添加剂和完全原子经济的性质是将该环加成反应推广到生物分子功能化的有希望的起点。
• VEGFR-2抑制剂及其制备方法
  申请人：浙江永宁药业股份有限公司

  公开号：CN106496107A

  公开（公告）日：2017-03-15

  本发明提供一种作为VEGFR‑2抑制剂的通式I化合物及其制备方法和在制备用于治疗由持续性血管生成导致的疾病的药物中的应用。