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1028-33-7

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1028-33-7 Usage

Originator

Pentifylline,Shanghai Lansheng

Uses

Different sources of media describe the Uses of 1028-33-7 differently. You can refer to the following data:
1. Stabilizer of vitamin preparations: Nook, Eidebenz, DE 1810705 (1970 to Chem. Werke Albert).
2. A vasodilator

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

1028-33-7 Well-known Company Product Price

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  • (Code)Product description
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  • Alfa Aesar

  • (L13597)  1-n-Hexyltheobromine, 98+%   

  • 1028-33-7

  • 250mg

  • 324.0CNY

  • Detail
  • Alfa Aesar

  • (L13597)  1-n-Hexyltheobromine, 98+%   

  • 1028-33-7

  • 1g

  • 902.0CNY

  • Detail

1028-33-7SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-N-HEXYLTHEOBROMINE

1.2 Other means of identification

Product number -
Other names 1-hexyl-3,7-dimethylpurine-2,6-dione

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:1028-33-7 SDS

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

-

, (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.

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