901747

7-(3-Bromo-4-methoxybenzyl)-1-ethyl-8-(((1R,2R)-2-hydroxycyclopentyl)amino)-3-(2-hydroxyethyl)-3,7-dihydro-1H-purine-2,6-dione

• 同義詞: Aryl halide chemistry informer library compound X12
• 經驗公式（希爾表示法）: C₂₂H₂₈BrN₅O₅
• CAS號碼: 569351-91-3
• 分子量：: 522.39
• 分類程式碼代碼: 12352101
• NACRES: NA.22

屬性

• 形狀: powder or crystals
• InChI: 1S/C22H28BrN5O5/c1-3-26-20(31)18-19(27(9-10-29)22(26)32)25-21(24-15-5-4-6-16(15)30)28(18)12-13-7-8-17(33-2)14(23)11-13/h7-8,11,15-16,29-30H,3-6,9-10,12H2,1-2H3,(H,24,25)
• InChI 密鑰: RCJYGWGQCPDYSL-UHFFFAOYSA-N

描述

應用

This product is Informer compound X12 of the Aryl Halide Chemistry Informer Library developed by chemists at Merck & Co., Inc., Kenilworth, NJ, U.S.., Inc., Kenilworth, NJ, U.S., which contains 18 drug-like molecules representative of those encountered in complex synthesis. By screening a new reaction against the Informer Library, chemists can directly compare and analyze a reactions′s successes and shortcomings among different methods and various research teams. It may also be used to faciliate deeper method development for performance or utility.

注意

Not Fully Tested.

其他說明

1.Chemistry informer libraries: a chemoinformatics enabled approach to evaluate and advance synthetic methods, Chem. Sci., 2016, 7, 2604-2613

2.Nanomole-scale high-throughput chemistry for the synthesis of complex molecules

安全資訊

• 儲存類別代碼: 11 - Combustible Solids
• 水污染物質分類（WGK）: WGK 3
• 閃點（°F）: Not applicable
• 閃點（°C）: Not applicable