Acetic Acid → (R)-4-(1-amino-1-oxo-3-(thiophen-2-yl)propan-2-ylamino)-2-(3-methylisothiazol-5-ylamino)benzamide

HRID 2201127

반응식

HRID 2201127 반응식
[C:1]([C:3]1[CH:8]=[CH:7][C:6]([NH:9][C@H:10]([CH2:14][C:15]2[S:16][CH:17]=[CH:18][CH:19]=2)[C:11]([NH2:13])=[O:12])=[CH:5][C:4]=1[NH:20][C:21]1[S:25][N:24]=[C:23]([CH3:26])[CH:22]=1)#[N:2].[OH-].[Na+].OO.CC(O)=[O:33]>CCO.CS(C)=O>[NH2:13][C:11](=[O:12])[C@H:10]([NH:9][C:6]1[CH:7]=[CH:8][C:3]([C:1]([NH2:2])=[O:33])=[C:4]([NH:20][C:21]2[S:25][N:24]=[C:23]([CH3:26])[CH:22]=2)[CH:5]=1)[CH2:14][C:15]1[S:16][CH:17]=[CH:18][CH:19]=1

참가 물질

7

반응물 4

HCID 176Acetic AcidHCID 784Hydrogen PeroxideHCID 14798Sodium HydroxideHCID 67508797(R)-2-(4-cyano-3-(3-methylisothiazol-5-ylamino)phenylamino)-3-(thiophen-2-yl)propanamide

생성물 1

HCID 57335685(R)-4-(1-amino-1-oxo-3-(thiophen-2-yl)propan-2-ylamino)-2-(3-methylisothiazol-5-ylamino)benzamide

시약·촉매·용매 2

HCID 679Dimethyl Sulfoxide용매HCID 702Ethanol용매

실험 절차

To a solution of (R)-2-(4-cyano-3-(3-methylisothiazol-5-ylamino)phenylamino)-3-(thiophen-2-yl)propanamide (13 mg, 0.034 mmol) in EtOH (1 mL) and DMSO (0.5 mL), aq. 1N NaOH (0.5 mL, 0.50 mmol) and aq. H2O2 (50%, 0.5 mL) were added. The mixture was stirred at room temperature for 30 min. HOAc (0.5 mL) was added. The mixture was purified by HPLC to give the titled compound (10 mg). MS 402.1 (M+H); UV 224.1, 302.6 nm.

후처리

  1. customThe mixture was purified by HPLC

출처 및 근거

ORD 기록
ord-964bc261abea4250b93e9203e302c801
출처 데이터셋
uspto-grants-2016_06
특허 번호
US09359375B2

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