3-(1H-吡咯-3-基)丙氨酸 | 209216-56-8

• 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
• 中文名称: 3-(1H-吡咯-3-基)丙氨酸
• 中文别名: 3-(3-吡咯基)-DL-丙氨酸；2-氨基-3-(1H-吡咯-3-基)丙酸
• 英文名称: 2-amino-3-(1H-pyrrol-3-yl)propanoic acid
• CAS: 209216-56-8
• 化学式: C₇H₁₀N₂O₂
• 分子量: 154.169
• InChiKey: SDMNFUKYUGGKNV-UHFFFAOYSA-N

物化性质

• 沸点：
  351.5±32.0 °C(Predicted)
• 密度：
  1.331±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -2.6
• 重原子数：
  11
• 可旋转键数：
  3
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  79.1
• 氢给体数：
  3
• 氢受体数：
  3

安全信息

• 海关编码：
  2933990090

反应信息

• 作为产物：
  描述：

  吡咯-3-甲醛 在 吡啶 、 4-二甲氨基吡啶 、 sodium hydroxide 、 sodium tetrahydroborate 、 碘代三甲硅烷 、 1,1,2,3-四甲基胍 、 N,N-二异丙基乙胺 、 nickel dichloride 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 69.25h， 生成 3-(1H-吡咯-3-基)丙氨酸
  参考文献：
  名称：

  Synthesis of protected derivatives of 3-pyrrolylalanine

  摘要：

  Protected derivatives of 3-pyrrolylalanine (3-PA) have been synthesized starting with N-tri(isopropyl)silylpyrrole. Following formylation and Boc protection, treatment with (+/-)-N-(benzyloxycarbonyl)-alpha-phosphonoglycine trimethyl ester provided a fully protected dehydro-3-pyrrolylalanine. Reduction of the double bond and removal of the methyl ester groups yielded 3-PA protected at the alpha- and pyrrole nitrogens. 3-PA is only transiently stable following N-deprotection. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0040-4039(98)00722-9

文献信息

• Diagnostic and therapeutic agents
  申请人：Taube Seija

  公开号：US20070258899A1

  公开（公告）日：2007-11-08

  Tumor targeting units are disclosed which have a peptide sequence C y —Y—G-F—X—W-G-Z-C yy (SEQ ID NO: 25), or a pharmaceutically or physiologically acceptable salt thereof. Tumor targeting agents are also disclosed having at least one targeting unit, directly or indirectly coupled to at least one effector unit. Diagnostic or pharmaceutical compositions having at least one targeting unit or at least one targeting agent, and targeting units or targeting agents for the preparation of a medicament for the treatment of cancer related diseases (including cancer), especially for the treatment of colon/colorectal cancer or its metastases are also disclosed.

  揭示了具有肽序列Cy—Y—G-F—X—W-G-Z-Cyy（序列ID编号：25）或其药学或生理上可接受的盐的肿瘤靶向单元。还披露了具有至少一个靶向单元的肿瘤靶向剂，直接或间接地偶联至至少一个效应单元。还披露了具有至少一个靶向单元或至少一个靶向剂的诊断或药物组合物，以及用于制备治疗癌症相关疾病（包括癌症）的药物的靶向单元或靶向剂，特别是用于治疗结肠/结直肠癌或其转移的靶向单元或靶向剂。
• [EN] NOVEL NON-CODING HETEROCYCLIC AMINO ACIDS (NCHAA) AND THEIR USE AS HERBICIDES<br/>[FR] NOUVEAUX ACIDES AMINÉS HÉTÉROCYCLIQUES NON CODANTS (NCHAA) ET LEUR UTILISATION EN TANT QU'HERBICIDES
  申请人：FORTEPHEST LTD

  公开号：WO2020250223A1

  公开（公告）日：2020-12-17

  The invention relates to a novel substituted amino acids, agricultural compositions comprising the novel substituted amino acids, and their use for controlling undesired plant growth alone or in combination with crop protection agents such as pesticides or plant growth regulators.

  该发明涉及一种新型的替代氨基酸，包括该新型替代氨基酸的农业组合物，以及它们用于单独或与农作物保护剂（如杀虫剂或植物生长调节剂）结合控制不受欢迎的植物生长的用途。
• Monomethylvaline Compounds Having Phenylalanine Side-Chain Replacements at the C-Terminus
  申请人：Doronina Svetlana O.

  公开号：US20090018086A1

  公开（公告）日：2009-01-15

  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，其中包括C-末端苯丙氨酸残基侧链替换或修饰，这些类似物可以单独提供或通过各种连接剂连接到配体上。相关的结合物可以针对特定细胞类型，提供治疗效果。
• 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。
• CAROTENOID DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICALLY ACCEPTABLE ESTER OR AMIDE THEREOF
  申请人：Fuji Chemical Industry Co., Ltd.

  公开号：EP3147279A1

  公开（公告）日：2017-03-29

  The object of the present invention is to find a carotenoid compound that is excellent in water solubility. A carotenoid derivative having a formula (I): wherein X represents a carbonyl group or a methylene group, one of R1 and R2 represents (a) or (b) and the other represents (a), (b), (c) or a hydrogen atom: (a): -CO-A-B-D wherein A represents an alkylene group an alkenylene group, etc., B represents a formula of -S(O)n- or a formula of -NR4CONR5- and D represents a hydrogen atom, a carboxy group, etc., (b): -CO-E-F wherein E represents an alkylene group or a formula of -NR3- wherein R3 represents (a1) a hydrogen atom, (b1) an alkyl group etc., and F represents a sulfo group and (c): -CO-G wherein G represents a hydrogen atom, an alkyl group, 1 etc., a pharmaceutically acceptable salt thereof, or a pharmaceutically acceptable ester or amide thereof.

  本发明的目的是找到一种水溶性极佳的类胡萝卜素化合物。 一种类胡萝卜素衍生物具有式（I）： 其中 X代表羰基或亚甲基，R1和R2中的一个代表(a)或(b)，另一个代表(a)、(b)、(c)或氢原子： (a):-其中 A 代表亚烯基、烯基等，B 代表-S(O)n- 或-NR4CONR5-，D 代表氢原子、羧基等、 (b): -CO-E-F 其中 E 代表亚烷基或式 -NR3- 其中 R3 代表 (a1) 氢原子、(b1) 烷基等，F 代表磺基和 (c):-CO-G，其中 G 代表氢原子、烷基、1 等、 其药学上可接受的盐，或其药学上可接受的酯或酰胺。