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[ CAS No. 6493-05-6 ]

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2D
Chemical Structure| 6493-05-6
Chemical Structure| 6493-05-6
Structure of 6493-05-6 *Storage: {[proInfo.prStorage]}

Quality Control of [ 6493-05-6 ]

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Related Doc. of [ 6493-05-6 ]

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Product Details of [ 6493-05-6 ]

CAS No. :6493-05-6MDL No. :MFCD00063379
Formula :C13H18N4O3Boiling Point :531.3°C at 760 mmHg
Linear Structure Formula :-InChI Key :N/A
M.W :278.31Pubchem ID :4740
Synonyms :

1. Pentoxifylline

Computed Properties of [ 6493-05-6 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 6493-05-6 ]

Signal Word:WarningClassN/A
Precautionary Statements:P301+P312+P330UN#:N/A
Hazard Statements:H302Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 6493-05-6 ]

  • Downstream synthetic route of [ 6493-05-6 ]

[ 6493-05-6 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 7521-41-7 ]
  • [ 6493-05-6 ]
  • 3,7-dimethyl-1-[4-(1,8-naphthyridin-2-yl)butyl]-3,7-dihydro-1H-purine-2,6-dione [ No CAS ]
  • 3,7-dimethyl-1-[3-(2-methyl-[1,8]naphthyridin-3-yl)-propyl]-3,7-dihydro-purine-2,6-dione [ No CAS ]
YieldReaction ConditionsOperation in experiment
A pharmaceutical product according to claim 4, in which the xanthine derivative is selected from the group consisting of: ... 1,3-di-n-butyl-7-(2-oxopropyl)xanthine, 1,3-di-n-butyl-7-(3-3-oxobutyl)xanthine, 1-(5-hydroxyhexyl)-3-methyl-7-propylxanthine, 3-methyl-1-(5-oxohexyl)-7-propylxanthine and 3,7-dimethyl-1-(5-oxohexyl)xanthine.
Examples which may be mentioned are the following compounds of the formula I: 1-(5-hydroxy-5-methyl-hexyl)-3-methylxanthine, 7-(ethoxymethyl-1-(5-hydroxy-5-methyl-hexyl)-3-methylxanthine, 1-(5-oxohexyl)-3,7-dimethylxanthine, 7-(2-oxopropyl)-1,3-di-n-butylxanthine or 1-hexyl-3,7-dimethylxanthine.
...rred candidate factors in this group are GDF-9 and/or 17alpha-OH. Anti-Muellerian Hormone (AMH) and/or stromal cell-derived factor 1 (SDF-1): are both negative regulators of early follicle development; inhibiting primordial follicle recruitment. Factors that reduce ischaemic damages: Ascorbic acid; Vitamin E; [6493-05-6]Pentoxifylline.
Additional AGE treatments, include, but are not limited to: ...carnosine;desferrioxamine;penicillamine;pioglitazone;pentoxifylline;metformin;2-isopropylidenehydrazono-4-oxo-thiazolidin-5-ylacetanilide (OPB-9195);
By way of example, the following compounds of the formula I are within the scope of the present invention: 1-(5-oxohexyl)-3-methyl-7-n-propylxanthine (propentofylline), 1-(5-hydroxy-5-methyl-hexyl)-3-methylxanthine, 7-(ethoxymethyl-1-(5-hydroxy-5-methylhexyl)-3-methylxanthine, 1-(5-oxohexyl)-3,7-dimethylxanthine, 7-(2-oxopropyl)-1,3-di-n-butylxanthine, and 1-hexyl-3,7-dimethylxanthine.
Examples of dyphylline-type compounds include: ... 7-(piperidinomethyl)theophylline; 7-[2-(diethylamino)ethyl] theophylline (also called metescufylline); 7-(1,3-dioxolan-2-ylmethyl)theophylline (also called doxofylline); theophylline-7-acetate (also called acefylline); and 1-(5-oxohexyl)-3,7-dimethylxanthine (also called pentoxyfylline).

  • 4
  • C15H17N3NiO2 [ No CAS ]
  • 1-(4-iodobutyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione [ No CAS ]
  • [ 6493-05-6 ]
  • 7
  • [ 275818-95-6 ]
  • [ 6493-05-6 ]
  • [ 1355729-57-5 ]
  • 8
  • [ 83-67-0 ]
  • (5-oxohexyl) mesylate [ No CAS ]
  • [ 6493-05-6 ]
YieldReaction ConditionsOperation in experiment
91.1% With potassium carbonate; In ethanol; water; at 50℃; for 16h; (2) Synthesis of crude pentoxifylline318.2 g of theobromine was added to 800 ml of a 20% potassium carbonate aqueous solution.550 ml of an ethanol solution of 342.75 g (5-oxohexyl) methanesulfonate was added dropwise, and stirred at 50 C. for 16 hours after the dropwise addition.A total of 1600 ml of dichloromethane was added to the reaction solution in three portions for extraction.Retain the organic phase, add anhydrous sodium sulfate, dry, evaporate the organic phase under reduced pressure, add 600 ml of ethanol and stir for crystallization.After suction filtration and drying at 50 C. for 1 hour, 386.1 g of crude pentoxifylline was obtained with a yield of 78.6%.(3) Purification of crude pentoxifyllineTake 386.1g of crude pentoxifylline, add 1930ml of ethanol to heat and dissolve, add 38.61g of activated carbon to adsorb and decolorize, reflux for 2 hours,Suction filtration while hot, the mother liquor was evaporated until solid began to precipitate, stirred at reduced temperature overnight, suction filtered, and the solid was dried under reduced pressure at 40 C for 2 hours.351.7 g of pure pentoxifylline was obtained with a yield of 91.1%.
  • 9
  • [ 6493-05-6 ]
  • [ 1185995-18-9 ]
  • 10
  • [ 6493-05-6 ]
  • C13H18N4O4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With flavin containing monooxygenase 5; at 37℃; for 2h;Enzymatic reaction; PTX-M (an oxidized metabolite of PTX) wasgenerated using human FMO5 supersomes (BD-Biosciences-Gentest, Woburn,MA) according to the microsomal metabolism assay protocol with a scaling factor of 10. Crude PTX-M (approx. 10 mg) was isolated and purified as described(Fiorentini et al., 2017). In brief, the microsomal reactions were performed ina centrifugal tube (total incubation volume: 2 ml) for 2 hours at 37C. Theresulting mixture was extracted with ethyl acetate and the combined organicphases from 30 replicates were dried using Eppendorf Concentrator Plus(Hamburg, Germany). After reconstitution in dichloromethane, the crude extractwas purified via chromatography on silica gel by using ethyl acetate/triethylamine(99:1, v/v), yielding about 2.0 mg of PTX-M. The product was verified by ultraperformanceliquid chromatography/quadrupole time-of-flight mass spectrometry(UPLC-QTOF/MS) analysis and showed an extract mass of m/z 295.14,andfragments of 252.13 and 181.08 (see Supplementary Fig. S1 for thefragmentation pathway).
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