Also known as: 1702259-66-2, N-[2-[[6-[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl-methylamino]pyrimidin-4-yl]amino]-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide, 4hte364xik, N-(2-((6-(3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methylureido)pyrimidin-4-yl)amino)-5-(4-ethylpiperazin-1-yl)phenyl)acrylamide, 2-propenamide, n-(2-((6-((((2,6-dichloro-3,5-dimethoxyphenyl)amino)carbonyl)methylamino)-4-pyrimidinyl)amino)-5-(4-ethyl-1-piperazinyl)phenyl)-, N-(2-((6-(((2,6-dichloro-3,5 dimethoxyphenyl) carbamoyl) (methyl)amino)pyrimidin-4-yl)amino)-5-(4-ethylpiperazin-1-yl)phenyl)prop-2-enamide

Molecular Formula

C₂₉H₃₄Cl₂N₈O₄

Molecular Weight

629.5 g/mol

InChI Key

MBWRLLRCTIYXDW-UHFFFAOYSA-N

FDA UNII

4HTE364XIK

FGFR4 Inhibitor H3B-6527 is an orally bioavailable inhibitor of human fibroblast growth factor receptor 4 (FGFR4), with potential antineoplastic activity. Upon administration, H3B-6527 specifically binds to and blocks FGFR4. This prevents the activation of FGFR4, inhibits FGFR4-mediated signaling and leads to an inhibition of cell proliferation in FGFR4-overexpressing tumor cells. FGFR4, a receptor tyrosine kinase overexpressed by certain tumor cell types, is involved in tumor cell proliferation, differentiation, angiogenesis, and survival; FGFR4 expression is associated with poor prognosis.

1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[2-[[6-[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl-methylamino]pyrimidin-4-yl]amino]-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide

2.1.2 InChI

InChI=1S/C29H34Cl2N8O4/c1-6-25(40)35-20-14-18(39-12-10-38(7-2)11-13-39)8-9-19(20)34-23-16-24(33-17-32-23)37(3)29(41)36-28-26(30)21(42-4)15-22(43-5)27(28)31/h6,8-9,14-17H,1,7,10-13H2,2-5H3,(H,35,40)(H,36,41)(H,32,33,34)

2.1.3 InChI Key

MBWRLLRCTIYXDW-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCN1CCN(CC1)C2=CC(=C(C=C2)NC3=CC(=NC=N3)N(C)C(=O)NC4=C(C(=CC(=C4Cl)OC)OC)Cl)NC(=O)C=C

2.2 Other Identifiers

2.2.1 UNII

4HTE364XIK

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. 1702259-66-2

2. N-[2-[[6-[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl-methylamino]pyrimidin-4-yl]amino]-5-(4-ethylpiperazin-1-yl)phenyl]prop-2-enamide

3. 4hte364xik

4. N-(2-((6-(3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methylureido)pyrimidin-4-yl)amino)-5-(4-ethylpiperazin-1-yl)phenyl)acrylamide

5. 2-propenamide, N-(2-((6-((((2,6-dichloro-3,5-dimethoxyphenyl)amino)carbonyl)methylamino)-4-pyrimidinyl)amino)-5-(4-ethyl-1-piperazinyl)phenyl)-

6. N-(2-((6-(((2,6-dichloro-3,5 Dimethoxyphenyl) Carbamoyl) (methyl)amino)pyrimidin-4-yl)amino)-5-(4-ethylpiperazin-1-yl)phenyl)prop-2-enamide

7. Unii-4hte364xik

8. Chembl3939295

9. Schembl16659467

10. Bdbm249396

11. Amy16703

12. Bcp17555

13. Ctc25966

14. Ex-a1510

15. H3b 6527 [who-dd]

16. H3b 6527

17. Nsc800283

18. S8675

19. Akos032960479

20. Zinc521836463

21. Ccg-270286

22. Cs-5830

23. Db15169

24. H3b6527

25. Nsc-800283

26. Sb40408

27. Ac-29878

28. As-55996

29. Hy-100491

30. H3b 6527;h3b6527;eisai;h3 Biomedicine

31. A901400

32. Us9434697, 108

33. N-(2-(6-(3-(2,6-dichloro-3,5-dimethoxyphenyl)-1-methylureido)pyrimidin-4-ylamino)-5-(4-ethylpiperazin-1-yl)phenyl)acrylamide

34. N-[2-[[6-[(2,6-dichloro-3,5-dimethoxyphenyl)carbamoyl-methylamino]pyrimidin-4-yl]amino]-5-(4-ethylpi

2.4 Create Date

2016-02-23

3 Chemical and Physical Properties

Molecular Formula	C₂₉H₃₄Cl₂N₈O₄
Molecular Weight	629.5 g/mol
XLogP3	4.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	10
Exact Mass	628.2080070 g/mol
Monoisotopic Mass	628.2080070 g/mol
Topological Polar Surface Area	124 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	913
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

H3b 6527

H3b 6527

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