Home Cart 0 Sign in  

[ CAS No. 19379-33-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
HazMat Fee +

There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 19379-33-0
Chemical Structure| 19379-33-0
Structure of 19379-33-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 19379-33-0 ]

Related Doc. of [ 19379-33-0 ]

Alternatived Products of [ 19379-33-0 ]

Product Details of [ 19379-33-0 ]

CAS No. :19379-33-0 MDL No. :MFCD27967059
Formula : C16H19N3O4S Boiling Point : -
Linear Structure Formula :- InChI Key :AVKUERGKIZMTKX-BBGACYKPSA-N
M.W : 349.40 Pubchem ID :448911
Synonyms :
Chemical Name :(2S,5R,6R)-6-((S)-2-Amino-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

Calculated chemistry of [ 19379-33-0 ]

Physicochemical Properties

Num. heavy atoms : 24
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.44
Num. rotatable bonds : 5
Num. H-bond acceptors : 5.0
Num. H-bond donors : 3.0
Molar Refractivity : 92.56
TPSA : 138.03 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -9.23 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.51
Log Po/w (XLOGP3) : -1.13
Log Po/w (WLOGP) : -0.39
Log Po/w (MLOGP) : 0.75
Log Po/w (SILICOS-IT) : 0.01
Consensus Log Po/w : 0.15

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.15
Solubility : 24.8 mg/ml ; 0.0709 mol/l
Class : Very soluble
Log S (Ali) : -1.28
Solubility : 18.5 mg/ml ; 0.0528 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.21
Solubility : 2.15 mg/ml ; 0.00615 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 4.16

Safety of [ 19379-33-0 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P264-P271-P272-P280-P285-P302+P352-P304+P340-P305+P351+P338-P333+P313-P337+P313-P342+P311-P362-P403+P233-P501 UN#:2811
Hazard Statements:H315-H317-H319-H334-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 19379-33-0 ]

* 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.

  • Downstream synthetic route of [ 19379-33-0 ]

[ 19379-33-0 ] Synthesis Path-Downstream   1~15

YieldReaction ConditionsOperation in experiment
hydrolytische Spaltung des Lactamrings (S.526);
In water at 35℃; effect of var. conc. of several polyhydric alcohols with and without aldehydes; var. pH values;
  • 2
  • [ 1122-58-3 ]
  • [ 1189-71-5 ]
  • 6-(D-α-phenylglycylamino)-penicillanic acid trimethylsilyl ester [ No CAS ]
  • [ 19379-33-0 ]
  • [ 50881-23-7 ]
YieldReaction ConditionsOperation in experiment
In dichloromethane; sodium hydrogencarbonate; acetic acid; triethylamine 8 EXAMPLE 8 EXAMPLE 8 A solution of acetyl-sulphamyl chloride which is obtained if 3.5 ml of chlorosulphonylisocyanate are added dropwise, whilst cooling with ice, to 2.3 ml of glacial acetic acid, after 30 minutes standing at 20° C the crystals are freed of volatile constituents in vacuo and the residue is dissolved in 130 ml of methylene chloride, is added at -30° C, under nitrogen, to a solution of 6-(D-α-phenylglycyl-amino)-penicillanic acid trimethylsilyl ester manufactured as described below. After working up as in Example 1, 7.4 g of 6-(D-α-acetylsulphamylamino-phenylacetamido)-penicillanic acid of melting point 140°-142° C. are obtained. In a thin layer chromatogram on silica gel, Rf52 = 0.69; Rf96 = 0.69; Rf100 = 0.44; Rf200 = 0.80. [α]D20 = +- 171°+- 1° (c = 1 in 0.5 N NaHCO3). The silyl ester solution is manufactured by reacting a suspension of 11.2 g (32 mmols) of anhydrous 6-(D-α-phenylglycylamino)-penicillanic acid in 180 ml of methylene chloride, in the presence of 16.8 ml (0.12 mol) of triethylamine and 1.2 g of p-dimethylamino-pyridine, with 8.0 ml (64 mmols) of trimethylchlorosilane at -10° C for 30 minutes.
  • 3
  • [ 50911-21-2 ]
  • [ 19379-33-0 ]
  • 6-[D(-)-α-(3-Phenylsulphonylacetyl-1-ureido)-phenylacetamido]-penicillanic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
In dichloromethane; ethyl acetate; triethylamine; Petroleum ether 2 EXAMPLE 2 EXAMPLE 2 6-[D(-)-α-(3-Phenylsulphonylacetyl-1-ureido)-phenylacetamido]-penicillanic acid is obtained by reaction of 3.0 g of anhydrous 6-(D-α-phenylglycylamino)-penicillanic acid in 40 ml of methylene chloride, in the presence of 1.80 ml of triethylamine, with a solution of 2.10 g of phenylsulphonylacetylisocyanate in 15 ml of methylene chloride, as in Example 1. The crude product (4.0 g, 81% of theory) is purified by filtration over a 40-fold amount of silica gel, using ethyl acetate as the solvent, and subsequently by precipitation from ethyl acetate solution by means of a mixture of ether and petroleum ether. Melting point: 159°-161°C, with decomposition. Thin layer chromatogram on silica gel: Rf52 = 0.56, Rf101 = 0.60, Rf67 = 0.31, Rf101A = 0.54. [α]D20 = +136° +-1° (c = 0.810 in dimethylsulphoxide).
  • 4
  • [ 288-32-4 ]
  • [ 142-71-2 ]
  • [ 19379-33-0 ]
  • Cu(II)(ampicillin)(imidazole)2(acetate)2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
62% In water aq. soln. of Cu(CH3CO2)2 added to warm aq. soln. of ligands, kept in water bath at 60°C with stirring; filtered, washed with H2O, ether; elem. anal.;
  • 5
  • [ 142-71-2 ]
  • [ 19379-33-0 ]
  • Cu(II)(ampicillin)2(OAc)2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
65% In water aq. soln. of Cu(CH3CO2)2 added to warm aq. soln. of ligand, pH 6.0, keptin water bath at 60°C with stirring; filtered, washed with H2O, ether; elem. anal.;
  • 6
  • [ 51-45-6 ]
  • [ 142-71-2 ]
  • [ 19379-33-0 ]
  • Cu(II)(ampicillin)(histamine)(acetate)2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
58% In water aq. soln. of Cu(CH3CO2)2 added to warm aq. soln. of ligands, kept in water bath at 60°C with stirring; filtered, washed with H2O, ether; elem. anal.;
  • 7
  • [ 51-17-2 ]
  • [ 142-71-2 ]
  • [ 19379-33-0 ]
  • Cu(II)(ampicillin)(benzimidazole)2(acetate)2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
58% In water aq. soln. of Cu(CH3CO2)2 added to warm aq. soln. of ligands, kept in water bath at 60°C with stirring; filtered, washed with H2O, ether; elem. anal.;
  • 8
  • [ 142-71-2 ]
  • [ 19379-33-0 ]
  • [ 71-00-1 ]
  • Cu(II)(ampicillin)(histidine)(acetate) [ No CAS ]
YieldReaction ConditionsOperation in experiment
60% In water aq. soln. of Cu(CH3CO2)2 added to warm aq. soln. of ligands, kept in water bath at 60°C with stirring; filtered, washed with H2O, ether; elem. anal.;
  • 9
  • [ 551-16-6 ]
  • [ 15028-40-7 ]
  • [ 19379-33-0 ]
  • [ 69-53-4 ]
YieldReaction ConditionsOperation in experiment
With α-amino ester hydrolase from Xanthomonas campestris pv. campestris (ATCC 33913) at 25℃; aq. phosphate buffer; Enzymatic reaction; optical yield given as %de; enantioselective reaction;
  • 10
  • [ 551-16-6 ]
  • [ 15028-39-4 ]
  • [ 2935-35-5 ]
  • [ 19379-33-0 ]
YieldReaction ConditionsOperation in experiment
With α-amino ester hydrolase from Xanthomonas campestris pv. campestris (ATCC 33913) at 25℃; aq. phosphate buffer; Enzymatic reaction;
  • 11
  • [ 19379-33-0 ]
  • [ 77-86-1 ]
  • L-ampicillin tromethamine salt [ No CAS ]
YieldReaction ConditionsOperation in experiment
With hydrogenchloride In aq. phosphate buffer; water
  • 12
  • [ 2935-35-5 ]
  • [ 19379-33-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: sodium hydroxide / water / 0.75 h / 0 - 20 °C 2.1: triethylamine; chloroformic acid ethyl ester / acetone / 0.17 h / 0 °C 2.2: 1 h / -50 - 0 °C 3.1: 10 wt% Pd(OH)2 on carbon; hydrogen / tetrahydrofuran / 2.5 h / 2585.81 Torr
  • 13
  • (S)-N-(benzyloxycarbonyl)phenylglycine [ No CAS ]
  • [ 19379-33-0 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: triethylamine; chloroformic acid ethyl ester / acetone / 0.17 h / 0 °C 1.2: 1 h / -50 - 0 °C 2.1: 10 wt% Pd(OH)2 on carbon; hydrogen / tetrahydrofuran / 2.5 h / 2585.81 Torr
  • 14
  • C24H25N3O6S [ No CAS ]
  • [ 19379-33-0 ]
YieldReaction ConditionsOperation in experiment
24.71% With 10 wt% Pd(OH)2 on carbon; hydrogen In tetrahydrofuran for 2.5h;
  • 15
  • C21H31N9O5S [ No CAS ]
  • [ 19379-33-0 ]
  • C37H50N12O9S2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
10% With triethylamine In dimethyl sulfoxide at 20℃; GY156 30 mg of compound GY106, 22 mg of penicillin and 20 μL of TEA were dissolved in 500 μL of DMSO and reacted overnight at room temperature. The reaction was monitored by LC-MS. After the reaction, it was purified by HPLC to obtain 5 mg of compound GY156 in the form of a pale yellow solid with a yield of 10%.
Same Skeleton Products
Historical Records