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Also known as: 1353552-97-2, Poseltinib [inn], Hm71224, Ly3337641, D01e4b1u35, Poseltinib (hm-71224; ly-3337641)

Molecular Formula

C₂₆H₂₆N₆O₃

Molecular Weight

470.5 g/mol

InChI Key

LZMJNVRJMFMYQS-UHFFFAOYSA-N

FDA UNII

D01E4B1U35

Poseltinib is an inhibitor of Bruton's tyrosine kinase (BTK) with potential anti-inflammatory activity. Upon administration, poseltinib inhibits the activity of BTK and prevents the activation of the B-cell antigen receptor (BCR) signaling pathway. This prevents the activation of BTK-mediated inflammatory pathways.

1 2D Structure

Poseltinib

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]furo[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide

2.1.2 InChI

InChI=1S/C26H26N6O3/c1-3-23(33)27-19-5-4-6-21(17-19)35-25-24-22(11-16-34-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)

2.1.3 InChI Key

LZMJNVRJMFMYQS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)OC=C4

2.2 Other Identifiers

2.2.1 UNII

D01E4B1U35

2.3 Synonyms

2.3.1 MeSH Synonyms

1. N-(3-(2-(4-(4-methylpiperazin-1-yl)anilino)furo(3,2-d)pyrimidin-4-yl)oxyphenyl)prop-2-enamide

2.3.2 Depositor-Supplied Synonyms

1. 1353552-97-2

2. Poseltinib [inn]

3. Hm71224

4. Ly3337641

5. D01e4b1u35

6. Poseltinib (hm-71224; Ly-3337641)

7. N-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]furo[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide

8. 2-propenamide, N-(3-((2-((4-(4-methyl-1-piperazinyl)phenyl)amino)furo(3,2-d)pyrimidin-4-yl)oxy)phenyl)-

9. N-(3-((2-(4-(4-methylpiperazin-1-yl)anilino)furo(3,2-d)pyrimidin-4-yl)oxy)phenyl)prop-2-enamide

10. Unii-d01e4b1u35

11. Gtpl9862

12. Chembl4163691

13. Schembl14915064

14. Dtxsid501112972

15. Bdbm50369724

16. Bs-15248

17. Hm-71224

18. Ly333764

19. Example 228 [wo2011162515a2]

20. Hy-109010

21. Cs-0030508

22. Hm71224; Ly3337641

23. D71176

24. Q27275916

2.4 Create Date

2012-03-02

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₆N₆O₃
Molecular Weight	470.5 g/mol
XLogP3	4.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	470.20663871 g/mol
Monoisotopic Mass	470.20663871 g/mol
Topological Polar Surface Area	95.8 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	709
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