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Technical details about Thymopentin, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as: 69558-55-0, Ncgc00166412-01, Specplus_000687, Spectrum4_001271, Arg-lys-asp-val-tyr-oh, Thymopentin acetate(tp-5)
Molecular Formula
C30H49N9O9
Molecular Weight
679.8  g/mol
InChI Key
PSWFFKRAVBDQEG-UHFFFAOYSA-N

Synthetic pentapeptide corresponding to the amino acids 32-36 of thymopoietin and exhibiting the full biological activity of the natural hormone. It is an immunomodulator which has been studied for possible use in the treatment of rheumatoid arthritis, AIDS, and other primary immunodeficiencies.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
3-[[6-amino-2-[[2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-[[1-[[1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
2.1.2 InChI
InChI=1S/C30H49N9O9/c1-16(2)24(28(46)38-22(29(47)48)14-17-8-10-18(40)11-9-17)39-27(45)21(15-23(41)42)37-26(44)20(7-3-4-12-31)36-25(43)19(32)6-5-13-35-30(33)34/h8-11,16,19-22,24,40H,3-7,12-15,31-32H2,1-2H3,(H,36,43)(H,37,44)(H,38,46)(H,39,45)(H,41,42)(H,47,48)(H4,33,34,35)
2.1.3 InChI Key
PSWFFKRAVBDQEG-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)N
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Pentapeptide, Thymopoietin

2. Thymopentin

3. Timunox

4. Tp-5

2.2.2 Depositor-Supplied Synonyms

1. 69558-55-0

2. Ncgc00166412-01

3. Specplus_000687

4. Spectrum4_001271

5. Arg-lys-asp-val-tyr-oh

6. Thymopentin Acetate(tp-5)

7. Thymopoietin Ii-32-36)

8. Kbiogr_001882

9. Divk1c_006783

10. Schembl989519

11. Chembl1868258

12. Kbio1_001727

13. Dtxsid10860899

14. Hms3369g09

15. (3s)-3-[[(2s)-6-amino-2-[[(2s)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]-4-[[(2s)-1-[[(1s)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic Acid

16. Nsc645363

17. Akos015961651

18. Akos026750555

19. Ac-8959

20. Nsc-645363

21. As-13028

22. Dl-arginyl-dl-lysyl-dl-aspartyl-dl-valyl-dl-tyrosine

23. J-011348

24. N~5~-(diaminomethylidene)ornithyllysyl-alpha-aspartylvalyltyrosine

25. L-tyrosine, N-[n-[n-(n2-l-arginyl-l-lysly)-l-.alpha.-aspartyl]-l-valyl]-

2.3 Create Date
2005-03-26
3 Chemical and Physical Properties
Molecular Weight 679.8 g/mol
Molecular Formula C30H49N9O9
XLogP3-6.4
Hydrogen Bond Donor Count11
Hydrogen Bond Acceptor Count12
Rotatable Bond Count22
Exact Mass679.36532417 g/mol
Monoisotopic Mass679.36532417 g/mol
Topological Polar Surface Area328 Ų
Heavy Atom Count48
Formal Charge0
Complexity1110
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count5
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Pharmacology and Biochemistry
4.1 MeSH Pharmacological Classification

Adjuvants, Immunologic

Substances that augment, stimulate, activate, potentiate, or modulate the immune response at either the cellular or humoral level. The classical agents (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contain bacterial antigens. Some are endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Their mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy of many biological response modifiers is related to their antigen-specific immunoadjuvanticity. (See all compounds classified as Adjuvants, Immunologic.)


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