Desketoraloxifene

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

MedKoo CAT#: 525797

CAS#: 216570-81-9

Description: Desketoraloxifene is a selective estrogen receptor modulator (SERM), inhibiting mammalian PLD (PLD1 and PLD2).

Chemical Structure

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Desketoraloxifene
CAS# 216570-81-9
Instruction

Theoretical Analysis

MedKoo Cat#: 525797
Name: Desketoraloxifene
CAS#: 216570-81-9
Chemical Formula: C27H27NO3S
Exact Mass: 445.17
Molecular Weight: 445.577
Elemental Analysis: C, 72.78; H, 6.11; N, 3.14; O, 10.77; S, 7.20

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: Desketoraloxifene

IUPAC/Chemical Name: 2-(4-Hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-1-benzothiophen-6-ol

InChi Key: ULDLKHSSWQBEPC-UHFFFAOYSA-N

InChi Code: InChI=1S/C27H27NO3S/c29-21-8-4-20(5-9-21)27-26(24-13-10-22(30)18-25(24)32-27)19-6-11-23(12-7-19)31-17-16-28-14-2-1-3-15-28/h4-13,18,29-30H,1-3,14-17H2

SMILES Code: OC1=CC=C2C(C3=CC=C(OCCN4CCCCC4)C=C3)=C(C5=CC=C(O)C=C5)SC2=C1

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 445.58 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Scott SA, Spencer CT, O'Reilly MC, Brown KA, Lavieri RR, Cho CH, Jung DI, Larock RC, Brown HA, Lindsley CW. Discovery of desketoraloxifene analogues as inhibitors of mammalian, Pseudomonas aeruginosa, and NAPE phospholipase D enzymes. ACS Chem Biol. 2015 Feb 20;10(2):421-32. doi: 10.1021/cb500828m. Epub 2014 Nov 19. PubMed PMID: 25384256; PubMed Central PMCID: PMC4336625.

2: Cho CH, Jung DI, Neuenswander B, Larock RC. Parallel synthesis of a desketoraloxifene analogue library via iodocyclization/palladium-catalyzed coupling. ACS Comb Sci. 2011 Sep 12;13(5):501-10. doi: 10.1021/co200090p. Epub 2011 Jul 13. PubMed PMID: 21721520; PubMed Central PMCID: PMC3171577.

3: Cho CH, Jung DI, Larock RC. A new approach to desketoraloxifene analogs from oxygen-bearing 3-iodobenzo[b]thiophenes prepared via iodocyclization. Tetrahedron Lett. 2010 Dec 15;51(50):6485-6488. PubMed PMID: 21113432; PubMed Central PMCID: PMC2989616.

4: Weatherman RV, Carroll DC, Scanlan TS. Activity of a tamoxifen-raloxifene hybrid ligand for estrogen receptors at an AP-1 site. Bioorg Med Chem Lett. 2001 Dec 17;11(24):3129-31. PubMed PMID: 11720858.