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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

Pegargiminase

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 Formula	C₄₀H₈₂O₂₁
Molecular Weight	899.1 g/mol
XLogP3	-3.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	58
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	216
Heavy Atom Count	61
Formal Charge	0
Complexity	693
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Drug and Medication Information

4.1 Drug Indication

Investigated for use/treatment in melanoma and hepatocellular carcinoma.

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