Today I’d like to introduce a new chemical compound, CAS is 1159408-61-3, Name is 4-(((3R,5S)-1-(1-(((2R,3R,4R,5R,6R)-3-Acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)-16,16-bis((3-((3-(5-(((2R,3R,4R,5R,6R)-3-acetamido-4,5-diacetoxy-6-(acetoxymethyl)tetrahydro-2H-pyran-2-yl)oxy)pentanamido)propyl)amino)-3-oxopropoxy)methyl)-5,11,18-trioxo-14-oxa-6,10,17-triazanonacosan-29-oyl)-5-((bis(4-methoxyphenyl)(phenyl)methoxy)methyl)pyrrolidin-3-yl)oxy)-4-oxobutanoic acid, Formula is C121H179N11O45, Molecular Weight is 2507.76g/mol. Because of its complex structure and huge molecular weight, this compound is rarely understood. Now let me introduce some knowledge about its synthesis.. Safety of 1159408-61-3
The general reactant of this compound is 1646203-74-8, Reagents is Hydrogen, Catalyst(Palladium), Solvent is Methanol, Products 12,19,25-Trioxo-14,14-bis[[3-oxo-3-[[3-[[1-oxo-5-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]pentyl]amino]propyl]amino]propoxy]methyl]-29-[[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-β-D-galactopyranosyl]oxy]-16-oxa-13,20,24-triazanonacosanoic acid, Yield: 95%, Synthetic Methods procedure :1. Dissolve the reactant ( 10.50 g, 5.01 mmol ) in methanol, evaporate under reduced pressure to remove traces of chlorinated solvent from previous step., 2. Re-dissolve in MeOH and degas with argon., 3. Add 10 wt% Pd-C ( 1.0 g, wet Degussa type E101 NE/W ) and hydrogenate the reaction under normal pressure overnight., 4. Filter the reaction mixture through celite and wash with MeOH., 5. Evaporate the combined filtrate under reduced pressure., Transfornation (Hydrolysis or Hydrogenolysis of Carboxylic Esters or Thioesters. Characterization Data include ‘s Proton NMR Spectrum : ( 400 MHz, DMSO-d 6 ) : δ 11.93 ( brs, 1H, -COOH ) ; 7.91-7.81 ( m, 6H, NH ) ; 7.72 ( t, J = 5.6 Hz, 3H, NH ) ; 6.96 ( s, 1H, NH ) ; 5.20 ( d, J = 3.4, 3H, sugar H4 ) ; 4.96 ( dd, J = 3.4, 11.2 Hz, 3H, sugar H3 ) ; 4.48 ( d, J = 8.4, 3H, sugar H1 ) ; 4.05-3.97 ( m, 9H, sugar H5, H6, H6′ ) ; 3.86 ( dt, J = 8.8, 11.0 Hz, 3H, sugar H2 ) ; 3.69 ( dt, J = 6.0, 9.9 Hz, 3H ) ; 3.57-3.47 ( m, 12H ) ; 3.40 ( dt, J = 6.3, 9.9 Hz, 3H ) ; 3.07-2.98 ( m, 12H ) ; 2.27 ( t, J = 6.4 Hz, 6H ) ; 2.17 ( t, J = 7.4 Hz, 2H ) ; 2.09 ( s, 9H ) ; 2.03 ( t, J = 7.2 Hz, 8H ) ; 1.98 ( s, 9H ) ; 1.89 ( s, 9H ) ; 1.76 ( s, 9H ) ; 1.55-1.37 ( m, 22H ) ; 1.27-1.16 ( m, 12H ) ., Carbon-13 NMR : ( 101 MHz, DMSO-d 6 ) : δ 174.7, 172.6, 172.0, 170.2, 170.0, 169.9, 169.6, 169.4, 101.0, 70.5, 69.9, 68.7, 68.3, 67.4, 66.7, 61.5, 59.5, 49.4, 36.4, 36.3, 36.1, 35.9, 35.1, 34.0, 29.3, 28.97, 28.95, 28.8, 28.8, 28.6, 28.5, 25.3, 24.7, 22.8, 21.9, 20.5, 20.5, 20.4., Mass Spectrum: Mass calc. for C91H148N10O39: 2004.99; found: 2028.01 ( M+Na+, MALDI-TOF, matrix: HABA ) ., State is white solid
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Reference:
CAS Reaction Number: 31-355-CAS-9994399,
,CAS Method Number: 3-614-CAS-3165786