MedKoo Cat#: 112133 | Name: Hellebrin
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Description:

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

Hellebrin is a cardiac glycoside that potently inhibits the Na+/K+-ATPase by binding to it and blocking its non-canonical function as a receptor for cardiac glycosides.

Chemical Structure

Hellebrin
Hellebrin
CAS#13289-18-4

Theoretical Analysis

MedKoo Cat#: 112133

Name: Hellebrin

CAS#: 13289-18-4

Chemical Formula: C36H52O15

Exact Mass: 724.3306

Molecular Weight: 724.80

Elemental Analysis: C, 59.66; H, 7.23; O, 33.11

Price and Availability

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5mg USD 750.00 2 Weeks
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Related CAS #
No Data
Synonym
Hellebrin; NSC 93134; NSC93134; NSC-93134
IUPAC/Chemical Name
(3S,5S,8R,9S,10S,13R,14S,17R)-3-(((2R,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)tetrahydro-2H-pyran-2-yl)oxy)-5,14-dihydroxy-13-methyl-17-(2-oxo-2H-pyran-5-yl)hexadecahydro-10H-cyclopenta[a]phenanthrene-10-carbaldehyde
InChi Key
DCSLTSSPIJWEJN-YRFFWODSSA-N
InChi Code
InChI=1S/C36H52O15/c1-17-30(51-32-28(43)26(41)25(40)23(14-37)50-32)27(42)29(44)31(48-17)49-19-5-10-34(16-38)21-6-9-33(2)20(18-3-4-24(39)47-15-18)8-12-36(33,46)22(21)7-11-35(34,45)13-19/h3-4,15-17,19-23,25-32,37,40-46H,5-14H2,1-2H3/t17-,19-,20+,21-,22+,23+,25+,26-,27-,28+,29+,30-,31-,32-,33+,34-,35-,36-/m0/s1
SMILES Code
O=C1C=CC([C@H]2CC[C@@]3([C@@]4(CC[C@@]5(C[C@H](CC[C@@]5([C@]4(CC[C@]23C)[H])C=O)O[C@]6([C@H](O)[C@H](O)[C@@]([H])(O[C@H]7[C@H](O)[C@@H](O)[C@H](O)[C@H](O7)CO)[C@@H](O6)C)[H])O)[H])O)=CO1
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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
Solvent mg/mL mM
Solubility
Water 4.0 5.52
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 724.80 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: Moreno Y Banuls L, Katz A, Miklos W, Cimmino A, Tal DM, Ainbinder E, Zehl M, Urban E, Evidente A, Kopp B, Berger W, Feron O, Karlish S, Kiss R. Hellebrin and its aglycone form hellebrigenin display similar in vitro growth inhibitory effects in cancer cells and binding profiles to the alpha subunits of the Na+/K+-ATPase. Mol Cancer. 2013 Apr 26;12:33. doi: 10.1186/1476-4598-12-33. PMID: 23621895; PMCID: PMC3722118.