辛酸,8-氯-6-羟基-,甲基酯 | 126190-31-6

• 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
• 中文名称: 辛酸,8-氯-6-羟基-,甲基酯
• 英文名称: N-(2-pyrimidinyl)-α-alanine
• 英文别名: 2-(Pyrimidin-2-ylamino)-propionic acid；2-(pyrimidin-2-ylamino)propanoic acid
• CAS: 126190-31-6
• 化学式: C₇H₉N₃O₂
• mdl: MFCD11048486
• 分子量: 167.167
• InChiKey: BAWRRKZCBDUZKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.285
• 拓扑面积：
  75.1
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  methyl N-(2-pyrimidinyl)-α-alaninate 在 盐酸 、 水 、 sodium carbonate 作用下， 生成 辛酸,8-氯-6-羟基-,甲基酯
  参考文献：
  名称：

  One-pot synthesis of N-(2-heteroaryl)-.alpha.-amino esters by the regiospecific 2-N-(.alpha.-alkoxycarbonyl)alkylation of 2-aminoazines and -azoles with glyoxals and alcohols promoted by perchloric acid

  摘要：

  DOI：

  10.1021/jo00297a033

文献信息

• BIOCATALYST FOR CATALYTIC HYDROAMINATION
  申请人：Hauer Bernhard

  公开号：US20120123155A1

  公开（公告）日：2012-05-17

  The present invention relates to a method for the enzymatic hydroamination of C—C double bonds catalyzed by enzymes structurally and/or functionally related to phenylalanine ammonia lyase (PAL) isolated from microorganisms of Petroselinum crispum, Rhodoturula glutinis and/or functional active derivatives thereof.

  本发明涉及一种由与从欧芹、红曹霉等微生物中分离的结构和/或功能上与苯丙氨酸氨基裂解酶（PAL）相关的酶催化的C—C双键的酶促水氨化方法。
• Biocatalyst for catalytic hydroamination
  申请人：BASF SE

  公开号：EP2280075A1

  公开（公告）日：2011-02-02

  The present invention relates to a method for the enzymatic hydroamination of C-C double bonds catalyzed by enzymes structurally and/or functionally related to phenylalanine ammonia lyase (PAL) isolated from microorganisms of Petroselinum crispum, Rhodoturula glutinis and/or functional active derivatives thereof.

  本发明涉及一种C-C双键的酶法氢化方法，该方法由从芹菜、谷氨酰胺和/或其功能活性衍生物的微生物中分离出来的与苯丙氨酸氨裂解酶（PAL）结构和/或功能相关的酶催化。
• ALCAIDE, BENITO;PLUMET, JOAQUIN;SIERRA, MIGUEL A., J. ORG. CHEM., 55,(1990) N0, C. 3143-3147
  作者：ALCAIDE, BENITO、PLUMET, JOAQUIN、SIERRA, MIGUEL A.

  DOI：——

  日期：——
• Substrate switched ammonia lyases and mutases
  申请人：Noel Joseph P.

  公开号：US20090011400A1

  公开（公告）日：2009-01-08

  Crystal structure information is used to make substrate-switched amino acid ammonia lyase enzymes, including TALs, PALs and HALs. Related methods, systems, compositions, cells and transgenic organisms are provided.
• COMPOSITIONS AND METHODS RELATED TO TAUOPATHY
  申请人：Regents of the University of Minnesota

  公开号：US20140171373A1

  公开（公告）日：2014-06-19

  Disclosed herein are isolated polypeptides, antibody preparations, treatment methods, diagnostic methods, and screening methods related to tauopathy. Generally, the isolated polypeptide includes a core pentapeptide, with the proviso that the isolated polypeptide is not a native full-length tau protein. Generally, the antibody preparations include antibody that specifically binds to SEQ ID NO:12. Generally, the treatment methods include administering to a subject a composition that includes the isolated polypeptide. Generally, the diagnostic methods includes contacting a sample from a subject with an antibody preparation that includes antibody that specifically binds to SEQ ID NO:12, and then detecting a ligand in the sample that specifically binds the antibody preparation. Generally, the screening method includes incubating a mixture of caspase-2, a labeled caspase-2 cleavage substrate, and a test compound under conditions effective to permit the caspase-2 to cleave the caspase-2 cleavage substrate, then determining whether the test compound inhibits cleavage of the substrate by caspase-2.