827026-45-9 (3-(4-硝基-1-氧代-1,3-二氢异吲哚-2-基)哌啶-2,6-二酮,4-Nitro Lenalidomide)

CAS号:
827026-45-9
中文名称:
3-(4-硝基-1-氧代-1,3-二氢异吲哚-2-基)哌啶-2,6-二酮
英文名称:
4-Nitro Lenalidomide
分子式:
C13H11N3O5
分子量:
289.243542909622

3-(4-硝基-1-氧代-1,3-二氢异吲哚-2-基)哌啶-2,6-二酮(827026-45-9)名称与标识符

名称

中文别名:
3-(4-硝基-1-氧代-1,3-二氢异吲哚-2-基)哌啶-2,6-二酮;来那度胺中间体;3-(1,3-二氢-4-硝基-1-氧代-2H-异吲哚-2-基)-;3-(4-硝基-1-氧-2-氢-异吲哚)-2,6-哌啶二酮;3-(4-硝基-1-氧代异吲哚-2-基)哌;3-(4-硝基-1-氧代异吲哚-2-基)哌啶-2,6-二酮;来那度胺杂质B;来那度胺中间体1;来那度胺中间体1 3-(4-硝基-1-氧代异吲哚-2-基)哌啶-2,6-二酮;3-(4-硝基-L,3一二氢-1一氧代.2H-异吲哚-2-基)-2,6-哌啶二酮;
英文别名:
3-(4-Nitro-1-oxoisoindolin-2-yl)piperidine-2,6-dione;4-Nitro Lenalidomide;(3S)-3-(4-Nitro-1-oxo-1,3-dihydro-2H-isoindol-2-yl)piperidine-2,6-dione;3-(4-NITRO-1-OXO-1,3-DIHYDROISOINDOL-2-YL)PIPERIDINE-2,6-DIONE;3-(7-nitro-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;2,6-Piperidinedione,3-(1,3-dihydro-4-nitro-1-oxo-2H-isoindol-2-yl);Methylprednisolone;3-(1,3-Dihydro-4-nitro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione (ACI);3-(4-Nitro-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione;3-(4-Nitro-1-oxoisoindolin-2-yl)piperidin-2,6-dione;EC1-134;

标识符

MDL:
MFCD22207108
InChIKey:
JKPJLYIGKKDZDT-UHFFFAOYSA-N
Inchi:
1S/C13H11N3O5/c17-11-5-4-10(12(18)14-11)15-6-8-7(13(15)19)2-1-3-9(8)16(20)21/h1-3,10H,4-6H2,(H,14,17,18)
SMILES:
O=C1N(C2CCC(=O)NC2=O)CC2C1=CC=CC=2[N+](=O)[O-]

3-(4-硝基-1-氧代-1,3-二氢异吲哚-2-基)哌啶-2,6-二酮(827026-45-9)物化性质

实验特性

  • LogP : 1.14570
  • PSA : 112.30000
  • 折射率 : 1.657
  • 沸点 : 616.6°C at 760 mmHg
  • 闪点 : 616.562 °C at 760 mmHg
  • 密度 : 1.546

计算特性

  • 精确分子量 : 289.07000
  • 氢键供体数量 : 1
  • 氢键受体数量 : 5
  • 可旋转化学键数量 : 2
  • 重原子数量 : 21

3-(4-硝基-1-氧代-1,3-二氢异吲哚-2-基)哌啶-2,6-二酮(827026-45-9)安全信息

3-(4-硝基-1-氧代-1,3-二氢异吲哚-2-基)哌啶-2,6-二酮(827026-45-9)海关数据

海关编码:
2925190090
海关数据:

中国海关编码:

2925190090

概述:

2925190090 其他酰亚胺及其衍生物盐. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:6.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

2925190090 other imides and their derivatives; salts thereof VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

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3-(4-硝基-1-氧代-1,3-二氢异吲哚-2-基)哌啶-2,6-二酮(827026-45-9)合成路线

合成路线:1 步
反应条件:
参考文献:
Scalable and green process for the synthesis of anticancer drug lenalidomide
Ponomaryov, Yuri; et al, Chemistry of Heterocyclic Compounds (New York, 2015, 51(2), 133-138
合成路线:1 步
反应条件:
参考文献:
One-pot method to construct isoindolinones and its application to the synthesis of DWP205109 and intermediate of Lenalidomide
Wang, Hongbo; et al, Tetrahedron Letters, 2021, 74,
合成路线:1 步
反应条件:
参考文献:
Design, synthesis and biological evaluation of lenalidomide derivatives as tumor angiogenesis inhibitor
Hu, Shengquan; et al, Bioorganic & Medicinal Chemistry Letters, 2017, 27(17), 4075-4081