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MedKoo Cat#: 408103 | Name: Berubicinol HCl

Description:

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

Berubicinol is a derivative of berubicin, in which the keto group in was reduced into the hydroxy group. Berubicinol is an active metabolite of berubicin. Berubicin was found to be an antileukemic agent with proapoptotic activity superior to that of doxorubicin.

Chemical Structure

Berubicinol HCl
CAS#959276-11-0 (free base)

Theoretical Analysis

MedKoo Cat#: 408103

Name: Berubicinol HCl

CAS#: 959276-11-0 (free base)

Chemical Formula: C34H38ClNO11

Exact Mass: 635.2367

Molecular Weight: 672.12

Elemental Analysis: C, 60.76; H, 5.70; Cl, 5.27; N, 2.08; O, 26.18

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 #
959276-11-0 (free base)
Synonym
Berubicinol HCl; Berubicinol.
IUPAC/Chemical Name
(8S,10S)-10-(((2R,4S,5S,6S)-4-amino-5-(benzyloxy)-6-methyltetrahydro-2H-pyran-2-yl)oxy)-8-((S)-1,2-dihydroxyethyl)-6,8,11-trihydroxy-1-methoxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride
InChi Key
LMLFKIVOKREMCU-KZFJIFQWSA-N
InChi Code
InChI=1S/C34H37NO11.ClH/c1-16-33(44-15-17-7-4-3-5-8-17)20(35)11-24(45-16)46-22-13-34(42,23(37)14-36)12-19-26(22)32(41)28-27(30(19)39)29(38)18-9-6-10-21(43-2)25(18)31(28)40;/h3-10,16,20,22-24,33,36-37,39,41-42H,11-15,35H2,1-2H3;1H/t16-,20-,22-,23-,24-,33+,34-;/m0./s1
SMILES Code
O=C1C2=C(O)C(C[C@]([C@H](CO)O)(O)C[C@@H]3O[C@H]4C[C@H](N)[C@H](OCC5=CC=CC=C5)[C@H](C)O4)=C3C(O)=C2C(C6=C1C=CC=C6OC)=O.[H]Cl
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
>3 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 672.12 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

View History

ACT-281959

ACT-281959