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<inlineContents>REMARK MSI WebLab Viewer PDB file
REMARK Created: Fri Oct 20 13:03:31 GMT Standard Time 2006
ATOM 1 O1 MOL 1 14.448 14.733 -0.004 1.00 0.00
ATOM 2 C2 MOL 1 13.218 15.463 -0.005 1.00 0.00
ATOM 3 C3 MOL 1 14.316 13.321 -0.005 1.00 0.00
ATOM 4 C4 MOL 1 15.435 12.588 -0.004 1.00 0.00
ATOM 5 C5 MOL 1 13.014 12.603 -0.000 1.00 0.00
ATOM 6 C6 MOL 1 15.358 11.104 -0.005 1.00 0.00
ATOM 7 O7 MOL 1 16.680 13.257 -0.003 1.00 0.00
ATOM 8 C8 MOL 1 12.982 11.296 -0.003 1.00 0.00
ATOM 9 O9 MOL 1 11.700 13.147 0.007 1.00 0.00
ATOM 10 C10 MOL 1 14.176 10.484 -0.006 1.00 0.00
ATOM 11 C11 MOL 1 16.569 10.328 -0.000 1.00 0.00
ATOM 12 C12 MOL 1 17.826 12.419 0.004 1.00 0.00
ATOM 13 C13 MOL 1 11.646 10.851 0.002 1.00 0.00
ATOM 14 C14 MOL 1 10.895 11.955 0.009 1.00 0.00
ATOM 15 C15 MOL 1 17.740 10.951 0.005 1.00 0.00
ATOM 16 O16 MOL 1 18.946 12.942 0.010 1.00 0.00
TER
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[[Image:methoxsalen-.gif]]

 
----
 
What is Methoxsalen? 
''3D structure of Methoxsalen:'' 
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<inlineContents>HEADER NONAME 20-Oct-06 NONE 1
ATOM 1 C 0 -0.431 2.805 -0.885 0.00 0.00 C+0
ATOM 2 O 0 -0.438 2.207 0.412 0.00 0.00 O+0
ATOM 3 C 0 -0.497 0.861 0.225 0.00 0.00 C+0
ATOM 4 C 0 0.674 0.124 0.113 0.00 0.00 C+0
ATOM 5 C 0 0.612 -1.271 -0.081 0.00 0.00 C+0
ATOM 6 C 0 -0.622 -1.915 -0.162 0.00 0.00 C+0
ATOM 7 C 0 -1.789 -1.170 -0.049 0.00 0.00 C+0
ATOM 8 C 0 -1.731 0.223 0.151 0.00 0.00 C+0
ATOM 9 O 0 -3.003 0.668 0.221 0.00 0.00 O+0
ATOM 10 C 0 -3.875 -0.345 0.080 0.00 0.00 C+0
ATOM 11 C 0 -3.220 -1.501 -0.084 0.00 0.00 C+0
ATOM 12 C 0 1.862 -2.029 -0.197 0.00 0.00 C+0
ATOM 13 C 0 3.034 -1.350 -0.112 0.00 0.00 C+0
ATOM 14 C 0 3.023 0.048 0.083 0.00 0.00 C+0
ATOM 15 O 0 4.083 0.644 0.158 0.00 0.00 O+0
ATOM 16 O 0 1.877 0.737 0.189 0.00 0.00 O+0
ATOM 17 H 0 0.438 2.454 -1.442 0.00 0.00 H+0
ATOM 18 H 0 -1.340 2.528 -1.418 0.00 0.00 H+0
ATOM 19 H 0 -0.384 3.889 -0.786 0.00 0.00 H+0
ATOM 20 H 0 -0.671 -2.984 -0.311 0.00 0.00 H+0
ATOM 21 H 0 -4.950 -0.242 0.100 0.00 0.00 H+0
ATOM 22 H 0 -3.656 -2.480 -0.222 0.00 0.00 H+0
ATOM 23 H 0 1.851 -3.098 -0.346 0.00 0.00 H+0
ATOM 24 H 0 3.973 -1.878 -0.193 0.00 0.00 H+0
CONECT 1 2 17 18 19 NONE 29
CONECT 2 1 3 0 0 NONE 30
CONECT 3 2 8 4 0 NONE 31
CONECT 4 3 16 5 0 NONE 32
CONECT 5 4 6 12 0 NONE 33
CONECT 6 5 7 20 0 NONE 34
CONECT 7 6 11 8 0 NONE 35
CONECT 8 7 3 9 0 NONE 36
CONECT 9 8 10 0 0 NONE 37
CONECT 10 9 11 21 0 NONE 38
CONECT 11 10 7 22 0 NONE 39
CONECT 12 5 13 23 0 NONE 40
CONECT 13 12 14 24 0 NONE 41
CONECT 14 13 15 16 0 NONE 42
CONECT 15 14 0 0 0 NONE 43
CONECT 16 14 4 0 0 NONE 44
END</inlineContents>
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''2D structure of Methoxsalen:'' 
[[Image:methox.gif|middle|2D structure of Methoxsalen]]
 

{| border="1"
|+ '''- Physical & Chemical properties1 -'''
! Chemical name
| 9-methoxy-7H-furo[3,2-g][1]-benzopyran-7-one
|-
! Molecular formular
|C12H8O4
|-
! Molecular weight
| 216.19 g/mol
|-
! State
| Solid
|-
! Appearance
| White to yellow powder
|-
! Solubility
| Clear to very slightly hazy yellow solution at 200mg plus 4ml of chloroform
|-
! Elemental analysis
| 65.3 - 68.0% Carbon
|-
! Purity by gas chromatography
| Not less than 98%
|}
 
''FT NMR of Methoxsalen:'' 
[[Image:nmr.JPG|middle|FT NMR of Methoxsalen]]

Methoxsalen is a naturally occurring photoactive substance found in the seeds of the Ammi majus (Umbelliferae) plant. It belongs to a group of compounds known as psoralens or furocoumarins. It is a photoactive substance and produces its effects when exposed to ultraviolet (UVA) light. Methoxsalen causes damage to the DNA of cells, ultimately causing their death2.
 
 
What is Methoxsalen used for? 
 
Methoxsalen is used along with ultraviolet light (found in sunlight and some special lamps) in a treatment called psoralen plus ultraviolet light A (PUVA) to treat vitiligo, a disease in which skin color is lost3. 
Methoxsalen selectively inhibits the synthesis of deoxyribonucleic acid (DNA). The guanine and cytosine content of DNA correlates with the degree of Methoxsalen-induced cross-linking, meaning after activation it binds preferentially to the guanine and cytosine bases of DNA, leading its cross-linking, thus inhibiting DNA synthesis and function. At high concentrations of the drug, cellular RNA and protein synthesis are also suppressed. 
It is also a drug that has been clinically proven to decrease smoking by interacting with and blocking the action of a protein that breaks down nicotine4. People who have nicotine addiction continue to smoke to maintain high nicotine levels in the brain. Methoxsalen specifically prevents the protein cytochrome P450 2A6 from degrading nicotine. Cytochrome P450 2A6 also breaks down carcinogens found in tobacco to more harmful chemicals that can cause cancer.

References 
1)[http://www.sigmaaldrich.com/catalog/search/ProductDetail/SIAL/M3501 2006 Sigma-Aldrich Co] 
2)[http://www.ufscc.ufl.edu/Patient/drug_dictionary.aspx?id=791 University of Florida Shands Cancer Center] 
3)[http://www.drugs.com Drugs information online] 
4)[http://www.medicalnewstoday.com/medicalnews.php?newsid=28864 Medical News Today]

2006-10-20T14:29:26Z

Kls05: