MedKoo Cat#: 412918 | Name: Cinobufaginol

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Cinobufaginol is a natural bufadienolide isolated from toad venom which has been widely used for centuries in China to treat different diseases, especially for cancer. Cinobufaginol potently inhibits the activity against human nasopharyngeal carcinoma cell lines with IC50s of 803 μΜ and 1.270 μΜ for CNE-1 and CNE-2Z, respectively.

Chemical Structure

Cinobufaginol
Cinobufaginol
CAS#6691-83-4

Theoretical Analysis

MedKoo Cat#: 412918

Name: Cinobufaginol

CAS#: 6691-83-4

Chemical Formula: C26H34O7

Exact Mass: 458.2305

Molecular Weight: 458.55

Elemental Analysis: C, 68.10; H, 7.47; O, 24.42

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
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Synonym
Cinobufaginol
IUPAC/Chemical Name
5beta-Bufa-20,22-dienolide, 14,15beta-epoxy-3beta,16beta,19-trihydroxy-, 16-acetate
InChi Key
KDRVIPFIZZDLGB-CDIOGTMDSA-N
InChi Code
InChI=1S/C26H34O7/c1-14(28)32-22-21(15-3-6-20(30)31-12-15)24(2)9-8-18-19(26(24)23(22)33-26)5-4-16-11-17(29)7-10-25(16,18)13-27/h3,6,12,16-19,21-23,27,29H,4-5,7-11,13H2,1-2H3/t16-,17+,18+,19-,21+,22-,23-,24-,25-,26-/m1/s1
SMILES Code
O=C(C=C1)OC=C1[C@H]2[C@@H](OC(C)=O)[C@@H]3[C@]4(O3)[C@]5([H])CC[C@]6([H])C[C@@H](O)CC[C@]6(CO)[C@@]5([H])CC[C@]24C
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 458.55 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Ren W, Luo Z, Pan F, Liu J, Sun Q, Luo G, Wang R, Zhao H, Bian B, Xiao X, Pu Q, Yang S, Yu G. Integrated network pharmacology and molecular docking approaches to reveal the synergistic mechanism of multiple components in Venenum Bufonis for ameliorating heart failure. PeerJ. 2020 Oct 30;8:e10107. doi: 10.7717/peerj.10107. PMID: 33194384; PMCID: PMC7605218.