4-oxo Withaferin A
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MedKoo CAT#: 573977

CAS#: 6850-30-2

Description: 4-oxo Withaferin A is a derivative of the steroidal lactone withaferin A that has anticancer activity. It is cytotoxic to A2780 ovarian cancer cells and carboplatin-resistant A2780 (A2780/CP70) cells and is 4.4-fold selective for A2780 cells over non-cancerous ARPE19 cells.


Chemical Structure

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4-oxo Withaferin A
CAS# 6850-30-2

Theoretical Analysis

MedKoo Cat#: 573977
Name: 4-oxo Withaferin A
CAS#: 6850-30-2
Chemical Formula: C28H36O6
Exact Mass: 468.2512
Molecular Weight: 468.59
Elemental Analysis: C, 71.77; H, 7.74; O, 20.49

Price and Availability

Size Price Availability Quantity
1.0mg USD 245.0 2 Weeks
10.0mg USD 485.0 2 Weeks
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Synonym: 4-oxo Withaferin A, 4-Dehydrowithaferin A

IUPAC/Chemical Name: (4aS,5aR,6aS,6bS,9R,9aS,11aS,11bR)-9-((S)-1-((R)-5-(hydroxymethyl)-4-methyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)ethyl)-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxirene-1,4-dione

InChi Key: XGPALHIQWWGRFB-TTWUVOALSA-N

InChi Code: InChI=1S/C28H36O6/c1-14-11-21(33-25(32)17(14)13-29)15(2)18-5-6-19-16-12-24-28(34-24)23(31)8-7-22(30)27(28,4)20(16)9-10-26(18,19)3/h7-8,15-16,18-21,24,29H,5-6,9-13H2,1-

SMILES Code: O=C(C=C1)[C@@]2(C)[C@@]([C@H]3C[C@]4([H])[C@]2([H])CC[C@@]5(C)[C@@]4([H])CC[C@]5([H])[C@H](C)[C@@]6([H])CC(C)=C(CO)C(O6)=O)(O3)C1=O

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

Preparing Stock Solutions

The following data is based on the product molecular weight 468.59 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

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1. Perestelo, N.R., Llanos, G.G., Reyes, C.P., et al. Expanding the chemical space of withaferin A by incorporating silicon to improve its clinical potential on human ovarian carcinoma cells. J. Med. Chem. 62(9), 4571-4585 (2019).