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Vesatolimod

Vesatolimod

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Also known as: Gs-9620, 1228585-88-3, Gs9620, Vesatolimod [inn], 4-amino-2-butoxy-8-(3-(pyrrolidin-1-ylmethyl)benzyl)-7,8-dihydropteridin-6(5h)-one, 8-(3-(pyrrolidin-1-ylmethyl)benzyl)-4-amino-2-butoxy-7,8-dihydropteridin-6(5h)-one

Molecular Formula

C₂₂H₃₀N₆O₂

Molecular Weight

410.5 g/mol

InChI Key

VFOKSTCIRGDTBR-UHFFFAOYSA-N

FDA UNII

O8M467C50G

Vesatolimod has been used in trials studying the treatment of Hepatitis B and Chronic Hepatitis B.

1 2D Structure

Vesatolimod

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one

2.1.2 InChI

InChI=1S/C22H30N6O2/c1-2-3-11-30-22-25-20(23)19-21(26-22)28(15-18(29)24-19)14-17-8-6-7-16(12-17)13-27-9-4-5-10-27/h6-8,12H,2-5,9-11,13-15H2,1H3,(H,24,29)(H2,23,25,26)

2.1.3 InChI Key

VFOKSTCIRGDTBR-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCOC1=NC(=C2C(=N1)N(CC(=O)N2)CC3=CC=CC(=C3)CN4CCCC4)N

2.2 Other Identifiers

2.2.1 UNII

O8M467C50G

2.3 Synonyms

2.3.1 MeSH Synonyms

1. 4-amino-2-butoxy-8-(3-(1-pyrrolidinylmethyl)benzyl)-7,8-dihydro-6(5h)-pteridinone

2. Gs-9620

2.3.2 Depositor-Supplied Synonyms

1. Gs-9620

2. 1228585-88-3

3. Gs9620

4. Vesatolimod [inn]

5. 4-amino-2-butoxy-8-(3-(pyrrolidin-1-ylmethyl)benzyl)-7,8-dihydropteridin-6(5h)-one

6. 8-(3-(pyrrolidin-1-ylmethyl)benzyl)-4-amino-2-butoxy-7,8-dihydropteridin-6(5h)-one

7. Gs 9620

8. Chembl2424780

9. O8m467c50g

10. Mfcd25372045

11. 4-amino-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one

12. 6(5h)-pteridinone, 4-amino-2-butoxy-7,8-dihydro-8-((3-(1-pyrrolidinylmethyl)phenyl)methyl)-

13. 4-azanyl-2-butoxy-8-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-5,7-dihydropteridin-6-one

14. Unii-o8m467c50g

15. Vesatolimod (usan/inn)

16. Vesatolimod [usan:inn]

17. Vesatolimod [usan]

18. Vesatolimod [who-dd]

19. Schembl10083191

20. Dtxsid40153741

21. Hms3750i03

22. Amy41043

23. Bcp08305

24. Ex-a2065

25. Bdbm50440284

26. S7221

27. Zinc95616590

28. Akos025290740

29. Ccg-268776

30. Cs-1352

31. Db12687

32. Sb16757

33. Ncgc00390283-01

34. Ncgc00390283-02

35. Ncgc00390283-03

36. Ac-30275

37. As-74316

38. Da-33595

39. Hy-15601

40. Sy028554

41. Ft-0721305

42. D11003

43. Q27285487

44. 4-amino-2-butoxy-7,8-dihydro-8-[[3-(1-pyrrolidinylmethyl)phenyl]methyl]-6(5h)-pteridinone

45. 4-amino-2-butoxy-8-(3-(1-pyrrolidinylmethyl)benzyl)-7,8-dihydro-6(5h)-pteridinone

46. 4-amino-2-butoxy-8-((3-((pyrrolidin-1-yl)methyl)phenyl)methyl)-7,8-dihydropteridin-6(5h)-one

47. 4-amino-2-butoxy-8-({3-[(pyrrolidin-1-yl)methyl]phenyl}methyl)-5,6,7,8-tetrahydropteridin-6-one

48. 9jr

2.4 Create Date

2010-07-19

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₃₀N₆O₂
Molecular Weight	410.5 g/mol
XLogP3	2.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	410.24302422 g/mol
Monoisotopic Mass	410.24302422 g/mol
Topological Polar Surface Area	96.6 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	558
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 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antiviral Agents

Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly. (See all compounds classified as Antiviral Agents.)