Find Bufalin manufacturers, exporters & distributors on PharmaCompass

Bufalin

Granules India Limited has high volume world-class facilities for APIs, PFIs, & FDFs, serving customers in over 80 countries.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 Listed Suppliers

1 API Suppliers
1 Listed Suppliers

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: 465-21-4, 3-beta,14-dihydroxy-5-beta-bufa-20,22-dienolide, 3,14-dihydroxy-bufa-20,22-dienolide, U549s98qlw, 5-((3s,5r,8r,9s,10s,13r,14s,17r)-3,14-dihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)-2h-pyran-2-one, Chebi:517248

Molecular Formula

C₂₄H₃₄O₄

Molecular Weight

386.5 g/mol

InChI Key

QEEBRPGZBVVINN-BMPKRDENSA-N

FDA UNII

U549S98QLW

Bufalin is an active ingredient and one of the glycosides in the traditional Chinese medicine ChanSu; it is also a bufadienolide toxin originally isolated from the venom of the Chinese toad Bufo gargarizans, with potential cardiotonic and antineoplastic activity. Although the mechanism of action of bufalin is still under investigation, this agent is a specific Na+/K+-ATPase inhibitor and can induce apoptosis in cancer cell lines through the activation of the transcription factor AP-1 via a mitogen activated protein kinase (MAPK) pathway.

1 2D Structure

Bufalin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-[(3S,5R,8R,9S,10S,13R,14S,17R)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

2.1.2 InChI

InChI=1S/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19+,20-,22+,23-,24+/m1/s1

2.1.3 InChI Key

QEEBRPGZBVVINN-BMPKRDENSA-N

2.1.4 Canonical SMILES

CC12CCC(CC1CCC3C2CCC4(C3(CCC4C5=COC(=O)C=C5)O)C)O

2.1.5 Isomeric SMILES

C[C@]12CC[C@@H](C[C@H]1CC[C@@H]3[C@@H]2CC[C@]4([C@@]3(CC[C@@H]4C5=COC(=O)C=C5)O)C)O

2.2 Other Identifiers

2.2.1 UNII

U549S98QLW

2.3 Synonyms

2.3.1 MeSH Synonyms

1. Bufalin, (3alpha,5beta)-isomer

2.3.2 Depositor-Supplied Synonyms

1. 465-21-4

2. 3-beta,14-dihydroxy-5-beta-bufa-20,22-dienolide

3. 3,14-dihydroxy-bufa-20,22-dienolide

4. U549s98qlw

5. 5-((3s,5r,8r,9s,10s,13r,14s,17r)-3,14-dihydroxy-10,13-dimethylhexadecahydro-1h-cyclopenta[a]phenanthren-17-yl)-2h-pyran-2-one

6. Chebi:517248

7. 3beta,14beta-dihydroxy-5beta-bufa-20,22-dienolide

8. 5-[(3s,5r,8r,9s,10s,13r,14s,17r)-3,14-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pyran-2-one

9. Unii-u549s98qlw

10. Nsc-89595

11. Ch'an Su

12. Buf

13. Nsc 89595

14. Brn 5141601

15. Bufalin [mi]

16. (3beta,5beta)-3,14-dihydroxybufa-20,22-dienolide

17. Bufalin [who-dd]

18. Schembl165666

19. Bufa-20,22-dienolide, 3,14-dihydroxy-, (3.beta.,5.beta.)-

20. Chembl399680

21. Bufa-20,22-dienolide, 3,14-dihydroxy-, (3b,5b)-

22. Dtxsid90873563

23. Amy40632

24. Bufalin: Bufa-20,22-dienolide, 3,14-dihydroxy-, (3b,5b)-,

25. Hy-n0877

26. Zinc4215121

27. Hsci1_000110

28. Lmst01130001

29. Mfcd30207876

30. S7821

31. Akos015965454

32. Cs-3694

33. Smp2_000290

34. Ac-20197

35. Ac-34068

36. Bs-17080

37. C16922

38. 5beta-bufa-20,22-dienolide, 3beta,14-dihydroxy-

39. Brd-k63606607-001-01-8

40. Brd-k63606607-001-02-6

41. Q18379323

42. 5-beta-bufa-20,22-dienolide, 3-beta,14-dihydroxy-

43. Bufa-20,22-dienolide, 3,14-dihydroxy-, (3beta,5beta)-

44. Bufa-20,22-dienolide, 3,14-dihydroxy-, (3-beta,5-beta)-

45. (3beta,5beta,10alpha,17alpha)-3,14-dihydroxybufa-20,22-dienolide

2.4 Create Date

2006-08-30

3 Chemical and Physical Properties

Molecular Formula	C₂₄H₃₄O₄
Molecular Weight	386.5 g/mol
XLogP3	3.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	386.24570956 g/mol
Monoisotopic Mass	386.24570956 g/mol
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	741
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

4 Pharmacology and Biochemistry

4.1 MeSH Pharmacological Classification

Antineoplastic Agents

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

Cardiotonic Agents

Agents that have a strengthening effect on the heart or that can increase cardiac output. They may be CARDIAC GLYCOSIDES; SYMPATHOMIMETICS; or other drugs. They are used after MYOCARDIAL INFARCT; CARDIAC SURGICAL PROCEDURES; in SHOCK; or in congestive heart failure (HEART FAILURE). (See all compounds classified as Cardiotonic Agents.)

Enzyme Inhibitors

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)

API SUPPLIERS