FMOC-(S)-3-氨基-3-(4-硝基苯基)-丙酸 | 501015-25-4

• 物质功能分类: 生物化工 - 氨基酸及其衍生物 - FMOC-氨基酸
• 分子结构分类: 有机化合物 - 苯类化合物 - 芴
• 中文名称: FMOC-(S)-3-氨基-3-(4-硝基苯基)-丙酸
• 英文名称: (S)-3-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-nitrophenyl)propanoic acid
• 英文别名: (3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(4-nitrophenyl)propanoic acid
• CAS: 501015-25-4
• 化学式: C24H20N2O6
• 分子量: 432.4
• InChiKey: ODIITDVCGARGIW-QFIPXVFZSA-N

物化性质

• 沸点：
  686.5±55.0 °C(Predicted)
• 密度：
  1.370±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  6

安全信息

• 危险性防范说明：
  P261,P264,P270,P271,P280,P301+P312,P302+P352,P304+P340,P330,P363,P501
• 危险性描述：
  H302,H312,H332

文献信息

• Substituted bicyclic compounds
  申请人：——

  公开号：US20020156111A1

  公开（公告）日：2002-10-24

  The invention is directed to physiologically active compounds of general formula (I): 1 wherein Het is an optionally substituted, saturated, partially saturated or fully unsaturated 8 to 10 membered bicyclic ring system containing at least one heteroatom selected from O, S or N; R 1 is optionally substituted aryl, heteroaryl, alkyl, alkenyl, alkynyl, cycloalkyl or heterocycloalkyl; R 2 is hydrogen, halogen, lower alkyl or lower alkoxy; Z 1 is NR 5 ; L 1 is a —R 6 —R 7 — linkage (where R 6 is alkylene, alkenylene or alkynylene and R 7 is a direct bond, cycloalkylene, heterocycloalkylene, aryldiyl, heteroaryldiyl, —C(═Z 3 )—NR 5 —, —NR 5 —C(═Z 3 )—, —Z 3 —, —C(═O)—, —C(═NOR 5 )—, —NR 5 —, —NR 5 —C(═Z 3 )—NR 5 —, —SO 2 —NR 5 —, —NR 5 —SO 2 —, —O—C(═O)—, —C(═O)—O—, —NR 5 —C(═O)—O— or —O—C(═O)—NR 5 —); L 2 is an alkylene chain substituted by hydroxy, oxo, —OR 4 , —O—C(═O)—R 4 , —N(R 8 )—C(═O)—R 9 , —N(R 8 )—C(═O)—OR 9 , —N(R 8 )—SO 2 —R 9 , or —NY 3 Y 4 ; and Y is carboxy or an acid bioisostere; and the corresponding N-oxides, and their prodrugs; and pharmaceutically acceptable salts and solvates of such compounds and their N-oxides and prodrugs. Such compounds have valuable pharmaceutical properties, in particular the ability to regulate the interaction of VCAM-1 and fibronectin with the integrin VLA-4 (&agr;4&bgr;1).

  该发明涉及一般式(I)的生理活性化合物： 其中Het是一个可选择取代的、饱和的、部分饱和的或完全不饱和的含有至少一个来自O、S或N的杂原子的8到10成员的双环环系统；R 1 是可选择取代的芳基、杂环芳基、烷基、烯基、炔基、环烷基或杂环烷基；R 2 是氢、卤素、低烷基或低烷氧基；Z 1 是NR 5 ；L 1 是一个—R 6 —R 7 —连接（其中R 6 是烷基、烯基或炔基，R 7 是直接键、环烷基、杂环烷基、芳基二基、杂芳基二基、—C(═Z 3 )—NR 5 —、—NR 5 —C(═Z 3 )—、—Z 3 —、—C(═O)—、—C(═NOR 5 )—、—NR 5 —、—NR 5 —C(═Z 3 )—NR 5 —、—SO 2 —NR 5 —、—NR 5 —SO 2 —、—O—C(═O)—、—C(═O)—O—、—NR 5 —C(═O)—O—或—O—C(═O)—NR 5 —）；L 2 是被羟基、氧代、—OR 4 、—O—C(═O)—R 4 、—N(R 8 )—C(═O)—R 9 、—N(R 8 )—C(═O)—OR 9 、—N(R 8 )—SO 2 —R 9 或—NY 3 Y 4 取代的烷基链；Y是羧基或酸生物同位素；以及相应的N-氧化物，它们的前药；以及这些化合物及其N-氧化物和前药的药学上可接受的盐和溶剂。 这些化合物具有有价值的药理特性，特别是调节VCAM-1和纤维连接蛋白与整合素VLA-4（α4β1）相互作用的能力。
• Squaric acid derivatives
  申请人：——

  公开号：US20030162799A1

  公开（公告）日：2003-08-28

  Squaric acid Derivatives of formula (1) are described: 1 wherein R 1 is an integrin binding group; R 2 is a hydrogen atom or a C 1-6 alkyl group; L 1 is a covalent bond or a linker atom or group; n is zero or the integer 1; Alk 1 is an optionally substituted aliphatic chain; R 3 is a hydrogen atom or an optionally substituted heteroaliphatic, cycloaliphatic, heterocycloaliphatic, polycycloaliphatic, polyheterocycloaliphatic, aromatic or heteroaromatic group: and the salts, solvates, hydrates and N-oxides thereof. The compounds are able to inhibit the binding of integrins to their ligands and are of use in the prophylaxis and treatment of immune of inflammatory disorders, or disorders involving the inappropriate growth or migration of cells.

  本文介绍了公式（1）的苯丙酸衍生物：其中R1是整合素结合基；R2是氢原子或C1-6烷基基团；L1是共价键或连接原子或基团；n为零或整数1；Alk1是可选的取代脂肪链；R3是氢原子或可选的取代杂原子脂肪、环状脂肪、杂环状脂肪、多环状脂肪、多杂环状脂肪、芳香或杂芳基团；以及其盐、溶剂化合物、水合物和N-氧化物。这些化合物能够抑制整合素与其配体的结合，并可用于预防和治疗免疫或炎症性疾病，或涉及细胞不适当生长或迁移的疾病。
• SUBSTITUTED BICYCLIC COMPOUNDS
  申请人：Aventis Pharma Limited

  公开号：EP1177181A1

  公开（公告）日：2002-02-06
• SQUARIC ACID DERIVATIVES AS CELL ADHESION MOLECULES
  申请人：Celltech R&D Limited

  公开号：EP1181266A1

  公开（公告）日：2002-02-27
• US6518283B1
  申请人：——

  公开号：US6518283B1

  公开（公告）日：2003-02-11