Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 1239262-52-2 | MDL No. : | MFCD24873137 |
Formula : | C22H22F3N3O4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | AVAOVICSJJIYRZ-UHFFFAOYSA-N |
M.W : | 449.42 | Pubchem ID : | 50898504 |
Synonyms : |
TSA TFA;Tubastatin A (trifluoroacetate salt);Tubastatin A trifluoroacetate salt
|
Chemical Name : | N-Hydroxy-4-((2-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-5(2H)-yl)methyl)benzamide 2,2,2-trifluoroacetate |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
* 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 |
---|---|---|
31% | [0222] N-Hydroxy-4-(2-methyl-l,2,3,4-tetrahydro-pyrido[4,3-b]indol-5- ylmethyl)benzamide, trifluoroacetic acid salt (6): 4-(2 -Methyl- 1,2,3,4-tetrahydro- pyrido[4,3-]indol-5-ylmethyl)benzoie acid methyl ester (20) (0.50 g, 1.5 mmol) and hydroxylamine hydrochloride (0.62 g, 9.0 mmol) were placed under argon and dissolved in 5 mL of methanol. To it was added a 25% sodium methoxide solution in methanol (2.6 g, 12 mmol) which resulted in the formation of a white precipitate. The reaction was stirred for 24 h after which the reaction was diluted with ethyl acetate (20 mL) and saturated sodium bicarbonate (20 mL). The organic layer was isolated and the aqueous layer was further extracted with ethyl acetate (2 x 10 mL). The combined organic layers were washed with brine (10 mL), dried (Na2SO4) and concentrated in vacuo. The crude extract was purified by HPLC to yield the title compound (TFA salt, 0.21 g, 31%) as a white solid. 1H NMR (400 MHz, DMSO): S 11.17 (br, IH), 10.17 (br, IH), 9.00 (br, IH), 7.67 (d, 2H, J= 7.9 Hz), 7.48 (t, 2H, J= 7.9 Hz), 7.17-7.06 (m, 4H), 5.44 (br, 2H), 4.50 (br, 2H), 3.60 (br, 2H), 3.10 (m, 2H), 3.00 (s, 3H). 13C NMR APT (100 MHz, MeOD): delta 141.5 (up), 137.0 (up), 132.3 (up), 131.7 (up), 127.7 (down), 126.9 (down), 124.8 (up), 122.3 (down), 120.2 (down), 118.2 (down), 110.6 (down), 102.7 (up), 51.0 (up), 50.6 (up), 46.0 (up), 42.3 (down), 20.1 (up). ESI-HRMS (m/z): [M+H]+ calcd. for C20H21N3O2, 336.1707; found, 336.1708. Analytical HPLC: Purity = 100%, tR= 5.71 min, Method A. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: sulfuric acid / 1,4-dioxane / 0 - 60 °C 1.2: pH 12 2.1: potassium <i>tert</i>-butylate / N,N-dimethyl-formamide / 0.25 h / 20 °C / Inert atmosphere 2.2: 2 h / 80 °C / Inert atmosphere 3.1: hydroxylamine hydrochloride; sodium methylate / methanol / 24 h / 20 °C / Inert atmosphere 3.2: HPLC column |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 3 steps 1.1: sulfuric acid / 1,4-dioxane / 0 - 60 °C 1.2: pH 12 2.1: potassium <i>tert</i>-butylate / N,N-dimethyl-formamide / 0.25 h / 20 °C / Inert atmosphere 2.2: 2 h / 80 °C / Inert atmosphere 3.1: hydroxylamine hydrochloride; sodium methylate / methanol / 24 h / 20 °C / Inert atmosphere 3.2: HPLC column |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Multi-step reaction with 2 steps 1.1: potassium <i>tert</i>-butylate / N,N-dimethyl-formamide / 0.25 h / 20 °C / Inert atmosphere 1.2: 2 h / 80 °C / Inert atmosphere 2.1: hydroxylamine hydrochloride; sodium methylate / methanol / 24 h / 20 °C / Inert atmosphere 2.2: HPLC column |