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Also known as: Tp-3654, 1361951-15-6, Tp3654, Sgi-9481, Eob0n7boy4, 2-(4-((3-(3-(trifluoromethyl)phenyl)imidazo(1,2-b)pyridazin-6-yl)amino)cyclohexyl)propan-2-ol

Molecular Formula

C₂₂H₂₅F₃N₄O

Molecular Weight

418.5 g/mol

InChI Key

XRNVABDYQLHODA-UHFFFAOYSA-N

FDA UNII

EOB0N7BOY4

PIM Kinase Inhibitor TP-3654 is an orally available, second-generation and selective ATP-competitive inhibitor of proviral integration site for Moloney murine leukemia virus (PIM) kinases, with potential antineoplastic activity. Upon oral administration, PIM kinase inhibitor TP-3654 selectively binds to and prevents the activation of the PIM kinases. This prevents the activation of PIM-mediated signaling pathways and inhibits proliferation in cells that overexpress PIM. PIMs, constitutively active proto-oncogenic serine/threonine kinases, are upregulated in various types of cancers and play key roles in tumor cell proliferation and survival.

1 2D Structure

TP-3654

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol

2.1.2 InChI

InChI=1S/C22H25F3N4O/c1-21(2,30)15-6-8-17(9-7-15)27-19-10-11-20-26-13-18(29(20)28-19)14-4-3-5-16(12-14)22(23,24)25/h3-5,10-13,15,17,30H,6-9H2,1-2H3,(H,27,28)

2.1.3 InChI Key

XRNVABDYQLHODA-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)(C1CCC(CC1)NC2=NN3C(=NC=C3C4=CC(=CC=C4)C(F)(F)F)C=C2)O

2.2 Other Identifiers

2.2.1 UNII

EOB0N7BOY4

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Tp 3654

2. Tp3654

3. Vasoactive Intestinal Peptide-aba-gly-gly-ala-gly

4. Vip-aba-gly-gly-(d)-ala-gly

5. Vip-aminobutyric Acid-glycyl-glycyl-(d)-alanyl-glycine

2.3.2 Depositor-Supplied Synonyms

1. Tp-3654

2. 1361951-15-6

3. Tp3654

4. Sgi-9481

5. Eob0n7boy4

6. 2-(4-((3-(3-(trifluoromethyl)phenyl)imidazo(1,2-b)pyridazin-6-yl)amino)cyclohexyl)propan-2-ol

7. 4-((3-(3-(trifluoromethyl)phenyl)imidazo(1,2-b)pyridazin-6-yl)amino) -trans-cyclohexyl)propan-2-ol

8. 2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol

9. Unii-eob0n7boy4

10. Schembl102560

11. Chembl3975308

12. Schembl19986953

13. Schembl20794171

14. Schembl22421478

15. Bdbm242374

16. Bcp30070

17. Ex-a1828

18. Nsc805149

19. Akos032960444

20. Cs-6293

21. Nsc-805149

22. Sb17245

23. Tp 3654

24. Ncgc00511354-02

25. Tp3654; Tp 3654

26. Ac-36196

27. Bs-15262

28. Hy-101126

29. S6774

30. C72454

31. A857573

32. Us9416132, 8-31

2.4 Create Date

2012-11-30

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₂₅F₃N₄O
Molecular Weight	418.5 g/mol
XLogP3	4.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	4
Exact Mass	418.19804592 g/mol
Monoisotopic Mass	418.19804592 g/mol
Topological Polar Surface Area	62.4 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	579
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