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The BI-3802 was designed by Boehringer Ingelheim and could be obtained free of charge through the Boehringer Ingelheim open innovation portal opnMe.com, associated with its negative control.
1-Methylisatin is a selective carboxylesterase inhibitor with Ki values of 38.2 μM and 5.38 μM for hiCE and hCE1, respectively, interacting with human adult hemoglobin through hydrophobic binding and electrostatic attraction, suitable for studies on active molecule metabolic regulation.
Synonyms: N-Methylisatin
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Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
Search for reports by entering the product batch number.
Batch number can be found on the product's label following the word 'Batch'.
CAS No. : | 2058-74-4 |
Formula : | C9H7NO2 |
M.W : | 161.16 |
SMILES Code : | O=C1N(C)C2=C(C=CC=C2)C1=O |
Synonyms : |
N-Methylisatin
|
MDL No. : | MFCD00005812 |
InChI Key : | VCYBVWFTGAZHGH-UHFFFAOYSA-N |
Pubchem ID : | 16358 |
GHS Pictogram: |
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Signal Word: | Warning |
Hazard Statements: | H317-H319 |
Precautionary Statements: | P280-P305+P351+P338 |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
35% | General procedure: All materials were dried for one day at 120 C. Chloride and carbonyl derivatives were introduced into a Schlenk of 30 mL. Products were put in vacuo, then under nitrogen. An appropriate volume of anhydrous DMF was added after 10 min of nitrogen bubbling. The solution was vigorously stirred for 20 min at -20 C. TDAE was added slowly under inert atmosphere. The reaction was stirred for one hour. The second reaction phase was performed at rt or at temperature according to procedure of synthesis. The reaction was hydrolysed with distilled water after TLC analysis clearly showed that the chloride 1 had been totally consumed. The aqueous solution was extracted with dichloromethane and the combined organic layers washed with brine then dried on MgSO4. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
75% | With triethylamine; In ethanol; at 40℃; for 2h; | 1-Methyl-isatin (1.61 g, 10 mmol) And <strong>[21617-20-9]6-chloro-2,3-dihydroquinolin-4-one</strong> (1.81 g, 10 mmol) Was dissolved in absolute ethanol (10 mL), triethylamine (0.5 mL) was added, The system was heated to 40 C, stirring reaction 2h, the precipitated solid filter, Washed with absolute ethanol (2 X 1 mL) and dried in vacuo to give 2.56 g of a yellow solid, Yield 75% |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
87% | With 2-amino-2-hydroxymethyl-1,3-propanediol; In ethanol; at 20℃; for 4h; | General procedure: To a well-stirred solution of isatin and malononitrile(1 mmol each) in ethanol (95%, 4 mL) was added dimedone,4-hydroxycoumarin, 4-hydroxy-N-methylquinolin-2-one,or 2-methyl-pyrazol-2-one [generated in situ from ethylacetoacetate and hydrazine hydrate, 1 mmol each]. To thissolution was added THAM (30 mol %) and stirring wascontinued at ambient temperature. Upon completion of thereaction (TLC), water (5 mL) was added and stirring wascontinued for 10 min more. Resultant solid product wasfiltered, washed repeatedly with water, and dried. The dried solid was washed thrice with hexaneechloroformmixture (1:1, v/v) and dried again. Resultant product didnot require any further purification. |