A-甲基-2-吡啶丙酸 | 1017183-06-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 中文名称: A-甲基-2-吡啶丙酸
• 英文名称: 2-methyl-3-(pyridin-2-yl)propanoic acid
• 英文别名: 2-methyl-3-pyridin-2-ylpropanoic acid
• CAS: 1017183-06-0
• 化学式: C₉H₁₁NO₂
• 分子量: 165.192
• InChiKey: BIYFVBMEOCFXNA-UHFFFAOYSA-N

物化性质

• 熔点：
  100-101 °C
• 沸点：
  292.0±15.0 °C(Predicted)
• 密度：
  1.151±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.2
• 重原子数：
  12
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  50.2
• 氢给体数：
  1
• 氢受体数：
  3

安全信息

• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  A-甲基-2-吡啶丙酸 、 N1-异丙基-1,2-苯二胺 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  Design and synthesis of novel benzimidazole derivatives as inhibitors of hepatitis B virus

  摘要：

  A series of novel benzimidazole derivatives were synthesized and evaluated for their anti-hepatitis B virus (HBV) activity and cytotoxicity in the HepG2.2.15 cell line. The preliminary SAR was discussed. Compound 12a, with IC50 < 0.41 mu M and SI > 81.2, was the most promising compound and selected as the benchmark compound for further optimization. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.05.076
• 作为产物：
  描述：

  Methyl 2-methyl-3-pyridin-2-ylpropanoate 在 盐酸 、 水 作用下， 反应 5.0h， 以8.1 g的产率得到A-甲基-2-吡啶丙酸
  参考文献：
  名称：

  Design and synthesis of novel benzimidazole derivatives as inhibitors of hepatitis B virus

  摘要：

  A series of novel benzimidazole derivatives were synthesized and evaluated for their anti-hepatitis B virus (HBV) activity and cytotoxicity in the HepG2.2.15 cell line. The preliminary SAR was discussed. Compound 12a, with IC50 < 0.41 mu M and SI > 81.2, was the most promising compound and selected as the benchmark compound for further optimization. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.05.076

文献信息

• [EN] ISOXAZOLYL SUBSTITUTED BENZIMIDAZOLES<br/>[FR] BENZIMIDAZOLES SUBSTITUÉS PAR UN ISOXAZOLYLE
  申请人：CELLCENTRIC LTD

  公开号：WO2016170324A1

  公开（公告）日：2016-10-27

  A compound which is a benzimidazolyl isoxazole of formula (I): wherein: R0and R, which are the same or different, are each H or C1-6 alkyl; R9, R9 and R9, which are the same or different, are each H or F; X is -(alkn-, -alk-C(=O)-NR-, -alk-NR-C(=O)- or -alk-C(=O)-; R1 is selected from -S(=O)2R'; a 4- to 6-membered, C-linked heterocyclic group which is unsubstituted or substituted; and an N-linked spiro group of the following formula: R2 and R2', which are the same or different, are each H or C1-6 alkyl, or R2 and R2' form, together with the C atom to which they are attached, a C3-6 cycloalkyl group; R3 and R3, which are the same or different, are each H, C1-6 alkyl, OH or F; R4 is phenyl or a 5- to 12-membered, N-containing heteroaryl group and is unsubstituted or substituted; alk is C1-6 alkylene; R' is C1-6 alkyl; and n is 0 or 1; or a pharmaceutically acceptable salt thereof. The compound has activity in modulating the activity of p300 and/or CBP and is used to treat cancer, particularly prostate cancer.

  一种化合物，是一种具有以下结构的苯并咪唑基异唑烷（I）：其中：R0和R，相同或不同，分别为H或C1-6烷基；R9，R9和R9，相同或不同，分别为H或F；X为-(烷基-，-烷基-C(=O)-NR-，-烷基-NR-C(=O)-或-烷基-C(=O)-；R1从-S(=O)2R'，未取代或取代的4-至6-成员的C-连接的杂环基，以及以下式的N-连接的螺环基中选择：R2和R2'，相同或不同，分别为H或C1-6烷基，或者R2和R2'与它们连接的C原子一起形成C3-6环烷基；R3和R3，相同或不同，分别为H，C1-6烷基，OH或F；R4为苯基或未取代或取代的含氮5-至12-成员的杂芳基；烷基为C1-6烷基；R'为C1-6烷基；n为0或1；或其药用盐。该化合物具有调节p300和/或CBP活性的作用，并用于治疗癌症，特别是前列腺癌。
• AMIDE DERIVATIVES OF N-UREA SUBSTITUTED AMINO ACIDS AS FORMYL PEPTIDE RECEPTOR LIKE-1 (FPRL-1) RECEPTOR MODULATORS
  申请人：ALLERGAN, INC.

  公开号：US20130109866A1

  公开（公告）日：2013-05-02

  The present invention relates to novel amide derivatives of N-urea substituted amino acids, processes for preparing them, pharmaceutical compositions containing them and their use as pharmaceuticals as modulators of the N-formyl peptide receptor like-1 (FPRL-1) receptor.

  本发明涉及新型酰胺衍生物，它们是N-脲基取代氨基酸的衍生物，以及制备它们的方法、含有它们的药物组合物以及它们作为药物的用途，作为N-甲酰肽受体类1（FPRL-1）受体的调节剂。
• QUINOLONE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF
  申请人：KOGA Yuji

  公开号：US20120136025A1

  公开（公告）日：2012-05-31

  Disclosed are quinolone derivatives characterized in that these have lower alkyl, cycloalkyl or the like at the 1-position; —N(R 0 )C(O)-lower alkylene-CO 2 R 0 , lower alkylene-CO 2 R 0 , lower alkenylene-CO 2 R 0 , —O-lower alkylene-CO 2 R 0 , —O-(lower alkylene which may be substituted with —CO 2 R 0 )-aryl or —O-lower alkenylene-CO 2 R 0 (wherein R 0 is H or lower alkyl) at the 3-position; halogen at the 6-position; and amino group substituted with a substituent group having a ring structure at the 7-position, respectively, or pharmaceutically acceptable salts thereof, has excellent P2Y12 inhibitory activity. The quinolone derivatives have excellent platelet aggregation inhibitory activity. A method of using the compounds is also disclosed.

  本发明涉及喹诺酮衍生物，其特征在于它们在1-位具有较低烷基、环烷基或类似物；在3-位具有-N(R0)C(O)-较低烷基烯基-CO2R0、较低烷基-CO2R0、较低烯基-CO2R0、-O-较低烷基-CO2R0、-O-（可能被取代为-CO2R0的较低烷基）芳基或-O-较低烯基-CO2R0（其中R0为H或较低烷基）；在6-位具有卤素；在7-位具有被环状取代基取代的氨基，或其药学上可接受的盐，具有出色的P2Y12抑制活性。这些喹诺酮衍生物具有优异的血小板聚集抑制活性。本发明还公开了一种使用这些化合物的方法。
• MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS
  申请人：Seattle Genetics, Inc.

  公开号：US20130123465A1

  公开（公告）日：2013-05-16

  Auristatin peptide analogs of MeVal-Val-Dil-Dap-Phe (MMAF) are provided having C-terminal phenylalanine residue side chain replacements or modifications which are provided alone or attached to ligands through various linkers. The related conjugates can target specific cell types to provide therapeutic benefit.

  提供了MeVal-Val-Dil-Dap-Phe（MMAF）的Auristatin肽类类似物，其具有C-末端苯丙氨酸残基侧链替换或修饰，可单独提供或通过各种连接剂连接到配体上。相关的结合物可以定向特定的细胞类型，以提供治疗效益。
• Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators
  申请人：Actelion Pharmaceuticals Ltd.

  公开号：US09255090B2

  公开（公告）日：2016-02-09

  The present invention relates to phenyl-substituted heterocyclyl derivatives of the formula (I), wherein Z, n, m, R1, R2, R3, R4, R5, R6, R7 and R8 are as described in the description and their use as prostaglandin receptor modulators, most particularly as prostaglandin D2 receptor modulators, in the treatment of various prostaglandin-mediated diseases and disorders, to pharmaceutical compositions containing these compounds and to processes for their preparation.

  本发明涉及公式（I）的苯基取代的杂环基衍生物，其中Z，n，m，R1，R2，R3，R4，R5，R6，R7和R8如描述中所述，以及它们在各种前列腺素介导的疾病和障碍的治疗中作为前列腺素受体调节剂的用途，特别是作为前列腺素D2受体调节剂，以及包含这些化合物的制药组合物和它们的制备方法。