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2D Structure
Also known as: 1308672-74-3, Surufatinib, N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1h-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide, Hmpl-012, Kdr-in-1, 1816307-67-1
Molecular Formula
C24H28N6O3S
Molecular Weight
480.6  g/mol
InChI Key
TTZSNFLLYPYKIL-UHFFFAOYSA-N
FDA UNII
B2K5L1L8S9

Sulfatinib is an orally bioavailable, small molecule inhibitor of vascular endothelial growth factor receptors (VEGFR) 1, 2, and 3, and the fibroblast growth factor receptor type 1 (FGFR1), with potential antineoplastic and anti-angiogenic activities. Upon oral administration, sulfatinib binds to and inhibits VEGFRs and FGFR1 thereby inhibiting VEGFR- and FGFR1-mediated signal transduction pathways. This leads to a reduction of angiogenesis and tumor cell proliferation in VEGFR/FGFR1-overexpressing tumor cells. Expression of VEGFRs and FGFR1 may be upregulated in a variety of tumor cell types.
1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[2-(dimethylamino)ethyl]-1-[3-[[4-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide
2.1.2 InChI
InChI=1S/C24H28N6O3S/c1-17-13-19-15-21(7-8-22(19)27-17)33-23-9-10-25-24(29-23)28-20-6-4-5-18(14-20)16-34(31,32)26-11-12-30(2)3/h4-10,13-15,26-27H,11-12,16H2,1-3H3,(H,25,28,29)
2.1.3 InChI Key
TTZSNFLLYPYKIL-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC1=CC2=C(N1)C=CC(=C2)OC3=NC(=NC=C3)NC4=CC=CC(=C4)CS(=O)(=O)NCCN(C)C
2.2 Other Identifiers
2.2.1 UNII
B2K5L1L8S9
2.3 Synonyms
2.3.1 MeSH Synonyms

1. N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1h-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide

2. Surufatinib

2.3.2 Depositor-Supplied Synonyms

1. 1308672-74-3

2. Surufatinib

3. N-(2-(dimethylamino)ethyl)-1-(3-((4-((2-methyl-1h-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide

4. Hmpl-012

5. Kdr-in-1

6. 1816307-67-1

7. Hmpl012

8. Surufatinib [inn]

9. Surufatinib [usan]

10. B2k5l1l8s9

11. N-[2-(dimethylamino)ethyl]-1-[3-[[4-[(2-methyl-1h-indol-5-yl)oxy]pyrimidin-2-yl]amino]phenyl]methanesulfonamide

12. Benzenemethanesulfonamide, N-(2-(dimethylamino)ethyl)-3-((4-((2-methyl-1h-indol-5-yl)oxy)-2-pyrimidinyl)amino)-

13. Benzenemethanesulfonamide, N-[2-(dimethylamino)ethyl]-3-[[4-[(2-methyl-1h-indol-5-yl)oxy]-2-pyrimidinyl]amino]-

14. Sulanda

15. N-[2-(dimethylamino)ethyl]-1-[3-({4-[(2-methyl-1h-indol-5-yl)oxy]pyrimidin-2-yl}amino)phenyl]methanesulfonamide

16. Sulfatinib [who-dd]

17. Sulfatinib; Hmpl-012

18. Unii-b2k5l1l8s9

19. Surufatinib [who-dd]

20. Gtpl9769

21. Schembl1822601

22. Chembl4297190

23. Bcp14757

24. Ex-a2524

25. Nsc797937

26. Who 10349

27. Akos030632837

28. Zinc117218067

29. Cs-5949

30. Db15106

31. Nsc-797937

32. Ac-35852

33. As-74954

34. Hmpl-012;hmpl 012;hmpl012

35. Hy-12297

36. Vegfr2 Inhibitor [wo2011060746]

37. D71057

38. A926546

39. N-(2-(dimethylamino) Ethyl)-1-(3-((4-((2-methyl-1h-indol-5-yl)oxy)pyrimidin-2-yl)amino)phenyl)methanesulfonamide

40. N-(2-(dimethylamino) Ethyl)-1-(3-((4-(2-methyl-1h-indol-5-yloxy) Pyrimidin-2-yl) Amino) Phenyl) Methanesulfonamide

2.4 Create Date
2011-06-06
3 Chemical and Physical Properties
Molecular Weight 480.6 g/mol
Molecular Formula C24H28N6O3S
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count10
Exact Mass480.19435995 g/mol
Monoisotopic Mass480.19435995 g/mol
Topological Polar Surface Area121 Ų
Heavy Atom Count34
Formal Charge0
Complexity733
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Indication

Treatment of all conditions included in the category of malignant neoplasms (except central nervous system tumours, haematopoietic and lymphoid tissue neoplasms), Treatment of malignant neoplasms of haematopoietic and lymphoid tissue