4β-Hydroxywithanolide E
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MedKoo CAT#: 573987

CAS#: 54334-04-2

Description: 4β-Hydroxywithanolide E is a withanolide steroidal lactone that has anti-inflammatory and anticancer activities. It inhibits LPS-induced nitric oxide (NO) production and TNF-α-induced NF-κB activity. 4β-Hydroxywithanolide E inhibits LPS-induced increases in inducible nitric oxide synthase (iNOS) and COX-2 levels and Akt and STAT1 phosphorylation. It inhibits Wnt signaling in HCT116 and SW480 colorectal cancer cells (IC50s = 1.85 and 2.67 μM, respectively).3 4β-Hydroxywithanolide E inhibits the proliferation of HCT116, SW480, HT-29, and LoVo cells.


Chemical Structure

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4β-Hydroxywithanolide E
CAS# 54334-04-2

Theoretical Analysis

MedKoo Cat#: 573987
Name: 4β-Hydroxywithanolide E
CAS#: 54334-04-2
Chemical Formula: C28H38O8
Exact Mass: 502.2567
Molecular Weight: 502.6
Elemental Analysis: C, 66.91; H, 7.62; O, 25.47

Price and Availability

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1.0mg USD 810.0 2 Weeks
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Synonym: 4β-Hydroxywithanolide E, NSC 212509

IUPAC/Chemical Name: (4S,4aR,5aR,6aR,6bR,9S,9aS,11aS,11bR)-9-((S)-1-((R)-4,5-dimethyl-6-oxo-3,6-dihydro-2H-pyran-2-yl)-1-hydroxyethyl)-4,6b,9-trihydroxy-9a,11b-dimethyl-5a,6,6a,6b,7,8,9,9a,10,11,11a,11b-dodecahydrocyclopenta[1,2]phenanthro[8a,9-b]oxiren-1(4H)-one

InChi Key: UPBUGICUKQIKTJ-KABTZXSUSA-N

InChi Code: InChI=1S/C28H38O8/c1-14-12-20(35-22(31)15(14)2)25(5,32)27(34)11-10-26(33)17-13-21-28(36-21)19(30)7-6-18(29)24(28,4)16(17)8-9-23(26,27)3/h6-7,16-17,19-21,30,32-34H,8-13H2,1-5H3/t16-,17+,19-,20+,21+,23-,24-,25-,26+,27-,28+/m0/s1

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

Appearance: Solid powder

Purity: >95% (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 502.6 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. Sang-Ngern, M., Youn, U.J., Park, E.J., et al. Withanolides derived from Physalis peruviana (Poha) with potential anti-inflammatory activity. Bioorg. Med. Chem. Lett. 26(12), 2755-2759 (2016).

2. Park, E.J., Sang-Ngern, M., Chang, L.C., et al. Physalactone and 4β-hydroxywithanolide E isolated from Physalis peruviana inhibit LPS-induced expression of COX-2 and iNOS accompanied by abatement of Akt and STAT1. J. Nat. Prod. 82(3), 492-499 (2019).

3. Ye, Z.N., Yuan, F., Liu, J.Q., et al. Physalis peruviana-derived 4β-hydroxywithanolide E, a novel antagonist of Wnt signaling, inhibits colorectal cancer in vitro and in vivo. Molecules 24(6), E1146 (2019).