1028-33-7 Usage
Description
1-N-HEXYLTHEOBROMINE is a chemical compound with the molecular formula C6H13BrN. It is a derivative of theobromine, a naturally occurring alkaloid found in cocoa and tea leaves, with a hexyl group attached to the nitrogen atom. This modification enhances its solubility and stability, making it suitable for various applications.
Uses
Used in Pharmaceutical Industry:
1-N-HEXYLTHEOBROMINE is used as a stabilizer for vitamin preparations, such as Nook, Eidebenz, and DE 1810705, to improve their shelf life and maintain their potency. Its ability to stabilize vitamins makes it an essential component in the formulation of multivitamin supplements and other health products.
Used in Cardiovascular Applications:
1-N-HEXYLTHEOBROMINE is used as a vasodilator to help relax and widen blood vessels, improving blood flow and reducing blood pressure. This property makes it a valuable component in the treatment of various cardiovascular conditions, such as hypertension, angina, and peripheral artery disease.
Originator
Pentifylline,Shanghai Lansheng
Manufacturing Process
The mixture 25 g theobromine, 38 ml 4 N sodium hydroxide, 60 ml isopropanol, and 17 g n-hexyl chloride were heated 24 hours to 100°C in autoclave. The solvent was removed and the residual alkaline solution was extracted with chloroform, water layer was acidified. Yield of 1-hexyl-3,7dimethylxanthine was 88%; MP: 82°-83°C. The product may be prepared from theobromine sodium. 20.2 g theobromine sodium, 20 n-hexyl bromide and 100 ml toluene were ground 10 hours at 100°C in a ball mill. After above written treatment 22.3 g (84.5%) 1-hexyltheobromine was prepared; MP: 84°C.
Therapeutic Function
Vasodilator, Diuretic
Check Digit Verification of cas no
The CAS Registry Mumber 1028-33-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,0,2 and 8 respectively; the second part has 2 digits, 3 and 3 respectively.
Calculate Digit Verification of CAS Registry Number 1028-33:
(6*1)+(5*0)+(4*2)+(3*8)+(2*3)+(1*3)=47
47 % 10 = 7
So 1028-33-7 is a valid CAS Registry Number.
InChI:InChI=1/C13H20N4O2/c1-4-5-6-7-8-17-12(18)10-11(14-9-15(10)2)16(3)13(17)19/h9H,4-8H2,1-3H3
1028-33-7Relevant articles and documents
Predictable stereoselective and chemoselective hydroxylations and epoxidations with P450 3A4
Larsen, Aaron T.,May, Erin M.,Auclair, Karine
supporting information; experimental part, p. 7853 - 7858 (2011/06/26)
Enantioselective hydroxylation of one specific methylene in the presence of many similar groups is debatably the most challenging chemical transformation. Although chemists have recently made progress toward the hydroxylation of inactivated C-H bonds, enzymes such as P450s (CYPs) remain unsurpassed in specificity and scope. The substrate promiscuity of many P450s is desirable for synthetic applications; however, the inability to predict the products of these enzymatic reactions is impeding advancement. We demonstrate here the utility of a chemical auxiliary to control the selectivity of CYP3A4 reactions. When linked to substrates, inexpensive, achiral theobromine directs the reaction to produce hydroxylation or epoxidation at the fourth carbon from the auxiliary with pro-R facial selectivity. This strategy provides a versatile yet controllable system for regio-, chemo-, and stereoselective oxidations at inactivated C-H bonds and demonstrates the utility of chemical auxiliaries to mediate the activity of highly promiscuous enzymes.
Use of antibodies to TNF or fragments derived thereof and xanthine derivatives for combination therapy and compositions therefor
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, (2008/06/13)
A combined preparation for simultaneous combined, simultaneous separate, or sequential use in the therapy of prophylaxis of disorders associated with undesirable high levels of TNF, e.g. septic or endotoxic shock and immunoregulatory and inflammatory disorders, which comprises an antibody to TNF or a TNF binding fragment thereof and a xanthine derivative. Particular preferred xanthine derivatives are 3,7-dimethyl-1(5-oxo-hexyl)xanthine (known as Pentoxifylline or TRENTAL) and 1-(5-hydroxy-5-methylhexyl)-3-methylxanthine and similar compounds. The anti-TNF antibody or fragment is preferably monospecific especially a humanized recombinant antibody or fragment.
