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Bufalin

Suanfarma, at the Core of a Better Life.

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ACTIVE PHARMA INGREDIENTS

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Synopsis

ACTIVE PHARMA INGREDIENTS

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CEP/COS

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NDC API

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API REF. PRICE (USD/KG)

$ 0

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Chemistry

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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.)

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ABOUT THIS PAGE

Bufalin Manufacturers

A Bufalin manufacturer is defined as any person or entity involved in the manufacture, preparation, processing, compounding or propagation of Bufalin, including repackagers and relabelers. The FDA regulates Bufalin manufacturers to ensure that their products comply with relevant laws and regulations and are safe and effective to use. Bufalin API Manufacturers are required to adhere to Good Manufacturing Practices (GMP) to ensure that their products are consistently manufactured to meet established quality criteria.

click here to find a list of Bufalin manufacturers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PhamaCompass.

Bufalin Suppliers

A Bufalin supplier is an individual or a company that provides Bufalin active pharmaceutical ingredient (API) or Bufalin finished formulations upon request. The Bufalin suppliers may include Bufalin API manufacturers, exporters, distributors and traders.

click here to find a list of Bufalin suppliers with USDMF, JDMF, KDMF, CEP, GMP, COA and API Price related information on PharmaCompass.

Bufalin GMP

Bufalin Active pharmaceutical ingredient (API) is produced in GMP-certified manufacturing facility.

GMP stands for Good Manufacturing Practices, which is a system used in the pharmaceutical industry to make sure that goods are regularly produced and monitored in accordance with quality standards. The FDA’s current Good Manufacturing Practices requirements are referred to as cGMP or current GMP which indicates that the company follows the most recent GMP specifications. The World Health Organization (WHO) has its own set of GMP guidelines, called the WHO GMP. Different countries can also set their own guidelines for GMP like China (Chinese GMP) or the EU (EU GMP).

PharmaCompass offers a list of Bufalin GMP manufacturers, exporters & distributors, which can be sorted by USDMF, JDMF, KDMF, CEP (COS), WC, API price, and more, enabling you to easily find the right Bufalin GMP manufacturer or Bufalin GMP API supplier for your needs.

Bufalin CoA

A Bufalin CoA (Certificate of Analysis) is a formal document that attests to Bufalin's compliance with Bufalin specifications and serves as a tool for batch-level quality control.

Bufalin CoA mostly includes findings from lab analyses of a specific batch. For each Bufalin CoA document that a company creates, the USFDA specifies specific requirements, such as supplier information, material identification, transportation data, evidence of conformity and signature data.

Bufalin may be tested according to a variety of international standards, such as European Pharmacopoeia (Bufalin EP), Bufalin JP (Japanese Pharmacopeia) and the US Pharmacopoeia (Bufalin USP).

Inform the supplier about your product requirements, specifying if you need a product with particular monograph like EP (Ph. Eur.), USP, JP, BP, or any other quality. In addition, clarify whether you need hydrochloride (HCl), anhydricum, base, micronisatum or a specific level of purity. To find reputable suppliers, utilize the filters and select those certified by GMP, FDA, or any other certification as per your requirement.
For your convenience, we have listed synonyms and CAS numbers to help you find the best supplier. The use of synonyms and CAS numbers can be helpful in identifying potential suppliers, but it is crucial to note that they might not always indicate the exact same product. It is important to confirm the product details with the supplier before making a purchase to ensure that it meets your requirements.