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2D Structure
Also known as: Peg21, 351342-08-0, Ho-peg20-oh, 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol, Peg 20, Mfcd09910396
Molecular Formula
C40H82O21
Molecular Weight
899.1  g/mol
InChI Key
ZHMUMDLGQBRJIW-UHFFFAOYSA-N

Pegargiminase is an agent consisting of the arginine-degrading enzyme arginine deiminase combined with polyethylene glycol (20,000 MW) (ADI-PEG 20) with potential antineoplastic activity. Upon administration, pegargiminase breaks down the amino acid arginine into citrulline. Although arginine is a nonessential amino acid for normal human cells, certain cancer cells are autotrophic for arginine and need arginine in order to survive. Depletion of arginine may lead to an inhibition of cellular proliferation in those cancer cells. ADI is coupled to PEG in order to enhance this agent's half-life.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
2.1.2 InChI
InChI=1S/C40H82O21/c41-1-3-43-5-7-45-9-11-47-13-15-49-17-19-51-21-23-53-25-27-55-29-31-57-33-35-59-37-39-61-40-38-60-36-34-58-32-30-56-28-26-54-24-22-52-20-18-50-16-14-48-12-10-46-8-6-44-4-2-42/h41-42H,1-40H2
2.1.3 InChI Key
ZHMUMDLGQBRJIW-UHFFFAOYSA-N
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Adi Peg20

2. Adi-peg20

3. Pegylated Arginine Deiminase

2.2.2 Depositor-Supplied Synonyms

1. Peg21

2. 351342-08-0

3. Ho-peg20-oh

4. 3,6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51,54,57-nonadecaoxanonapentacontane-1,59-diol

5. Peg 20

6. Mfcd09910396

7. 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol

8. Pegylated Arginine Deiminase

9. Pegargiminasum

10. Pegargiminasa

11. 9fo

12. Eicosa-ethylene Glycol

13. Adi-peg

14. Adi-ss

15. Adipeg20

16. 0b7pyq9yrt

17. Arginine Deiminase Pegylated

18. Pegargiminase [inn]

19. Pegargiminase [usan:inn]

20. Adi-peg 20

21. Adi-peg-20

22. Pegargiminase [usan]

23. Pegargiminase [who-dd]

24. Schembl4595689

25. Dtxsid301018299

26. Akos040741840

27. Bp-23437

28. Da-56666

29. Ms-31676

30. Sy272914

31. Hy-141236

32. Cs-0115035

33. Ns00076660

34. C70465

35. 1394129-74-8

36. Pentakis(n-(4-(.omega.-methoxypoly(oxyethylene))-4-oxobutanoyl))-(111-glutamic Acid,209-serine)arginine Deiminase (adi, Arginine Dihydrolase, Ad) From Mycoplasma Hominis

37. Pentakis(n-(4-(omega-methoxypoly(oxyethylene))-4-oxobutanoyl))-(111-glutamic Acid,209-serine)arginine Deiminase (adi, Arginine Dihydrolase, Ad) From Mycoplasma Hominis

2.3 Create Date
2007-02-09
3 Chemical and Physical Properties
Molecular Weight 899.1 g/mol
Molecular Formula C40H82O21
XLogP3-3.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count21
Rotatable Bond Count58
Exact Mass Da
Monoisotopic Mass Da
Topological Polar Surface Area216
Heavy Atom Count61
Formal Charge0
Complexity693
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Investigated for use/treatment in melanoma and hepatocellular carcinoma.