(2S,4R)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic Acid | 153074-95-4

• 物质功能分类: 生物化工 - 生化试剂 - 氨基酸
• 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
• 英文名称: (2S,4R)-4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic Acid
• 英文别名: 4-benzyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
• CAS: 153074-95-4
• 化学式: C₁₇H₂₃NO₄
• mdl: MFCD24391028
• 分子量: 305.4
• InChiKey: JPNHKKRLLDYCIZ-UHFFFAOYSA-N

物化性质

• 熔点：
  100-102℃
• 沸点：
  447.9±38.0 °C(Predicted)
• 密度：
  1.185±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  22
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.529
• 拓扑面积：
  66.8
• 氢给体数：
  1
• 氢受体数：
  4

安全信息

• 危险等级：
  IRRITANT

文献信息

• Chemokine CXCR4 receptor modulators and uses related thereto
  申请人：EMORY UNIVERSITY

  公开号：US10016408B2

  公开（公告）日：2018-07-10

  The disclosure relates to chemokine CXCR4 receptor modulators and uses related thereto. In certain embodiments, the disclosure relates to pharmaceutical compositions comprising compounds disclosed herein or pharmaceutically acceptable salts or prodrugs thereof. In certain embodiments, the compositions disclosed herein are used for managing CXCR4 related conditions, typically prevention or treatment of viral infections such as HIV or for managing cancer.

  本公开涉及趋化因子 CXCR4 受体调节剂及其相关用途。在某些实施方案中，本公开涉及包含本文公开的化合物或其药学上可接受的盐或原药的药物组合物。在某些实施方案中，本文公开的组合物用于控制与CXCR4相关的病症，通常是预防或治疗病毒感染如HIV或控制癌症。
• Substituted pyrrolidine derivatives as HIV protease inhibitors
  申请人：BIO-MEGA/BOEHRINGER INGELHEIM RESEARCH INC.

  公开号：EP0560269B1

  公开（公告）日：1995-05-31
• CHEMOKINE CXCR4 RECEPTOR MODULATORS AND USED RELATED THERETO
  申请人：EMORY UNIVERSITY

  公开号：US20150157630A1

  公开（公告）日：2015-06-11

  The disclosure relates to chemokine CXCR4 receptor modulators and uses related thereto. In certain embodiments, the disclosure relates to pharmaceutical compositions comprising compounds disclosed herein or pharmaceutically acceptable salts or prodrugs thereof. In certain embodiments, the compositions disclosed herein are used for managing CXCR4 related conditions, typically prevention or treatment of viral infections such as HIV or for managing cancer.
• CHEMOKINE CXCR4 RECEPTOR MODULATORS AND USES RELATED THERETO
  申请人：EMORY UNIVERSITY

  公开号：US20170079971A1

  公开（公告）日：2017-03-23

  The disclosure relates to chemokine CXCR4 receptor modulators and uses related thereto. In certain embodiments, the disclosure relates to pharmaceutical compositions comprising compounds disclosed herein or pharmaceutically acceptable salts or prodrugs thereof. In certain embodiments, the compositions disclosed herein are used for managing CXCR4 related conditions, typically prevention or treatment of viral infections such as HIV or for managing cancer.
• US5552405A
  申请人：——

  公开号：US5552405A

  公开（公告）日：1996-09-03