| Size | Price | Stock | Qty |
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| 1mg |
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| 100mg | |||
| Other Sizes |
| Targets |
LY88074 targets estrogen receptors, specifically estrogen receptor beta (ERβ), with an EC₅₀ of 232 nM. As a structural analog of the selective estrogen receptor modulator (SERM) Raloxifene, it binds to estrogen receptors and modulates their activity. The compound lacks the basic aminoethylpiperidine side chain that is present in Raloxifene, which significantly alters its biological activity. LY88074 is an agonist of ERβ and stimulates uterine cell proliferation. The compound's interaction with collagen matrices is significant but lower than that of Raloxifene, and the removal of the aminoethylpiperidine group reduces bone binding capacity compared to Raloxifene.
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| ln Vitro |
In contrast to raloxifene, LY88074 (compound 88074) had less osseointegration when the aminoethylpiperidine moiety was removed. Though noteworthy, LY88074's interaction with the collagen matrix is less than that of raloxifene [1].
In vitro, LY88074 is an agonist of estrogen receptor beta (ERβ) with an EC₅₀ of 232 nM. The compound stimulates uterine cell proliferation. Its interaction with collagen matrices is significant but lower than that of Raloxifene. Compared to Raloxifene, the removal of the aminoethylpiperidine group reduces bone binding capacity. These in vitro data demonstrate that the basic side chain of Raloxifene is important for its SERM activity and bone binding properties. LY88074 serves as a useful tool for studying the structure-activity relationships of SERMs and understanding the role of the basic side chain in estrogen receptor modulation and tissue selectivity. |
| ln Vivo |
In vivo, LY88074 has potential use in the treatment of estrogen deprivation syndrome. As an ERβ agonist, it may exert estrogenic effects in certain tissues while lacking the full spectrum of SERM activities. The compound's reduced bone binding capacity compared to Raloxifene suggests that it may have different tissue selectivity and efficacy profiles. However, detailed in vivo efficacy, pharmacokinetic, and toxicological data for LY88074 are not extensively reported in the available literature. Further studies are needed to establish its therapeutic potential and safety profile. The compound is supplied as a research chemical for estrogen receptor studies.
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| Enzyme Assay |
In vitro enzyme/receptor binding (non-cellular) assays for LY88074 involve measuring binding affinity to estrogen receptors (ERα and ERβ) using radioligand binding assays or fluorescence-based assays. In these assays, the receptor protein is incubated with a radiolabeled or fluorescently labeled estrogen ligand and varying concentrations of the test compound. The displacement of the labeled ligand is measured, and the binding affinity (IC₅₀ or Kd) is calculated from competition curves. Additionally, the compound's ability to activate ER-mediated transcription can be assessed using cell-free reporter gene systems. These assays help characterize the compound's receptor binding properties and compare them to Raloxifene and other SERMs.
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| Cell Assay |
In vitro cellular experiments with LY88074 are performed using estrogen receptor-positive cell lines such as MCF-7 (breast cancer) or Ishikawa (endometrial cancer) cells. Cells are cultured in appropriate media (e.g., phenol red-free DMEM with charcoal-stripped FBS) and treated with varying concentrations of LY88074 for 24-72 hours. Estrogen receptor activation is assessed by measuring the expression of estrogen-responsive genes using RT-qPCR or by detecting changes in cell proliferation using MTT or CellTiter-Glo assays. The compound's effects on uterine cell proliferation are assessed in endometrial cell lines. These experiments help elucidate the compound's estrogenic and anti-estrogenic activities.
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| Animal Protocol |
In vivo animal studies with LY88074 have not been extensively reported. For evaluating SERM activity, standard in vivo models include ovariectomized rodent models of estrogen deficiency. Ovariectomized rats or mice are treated with LY88074 via oral or subcutaneous administration at various doses. Efficacy is assessed by measuring uterine weight (estrogenic effect), bone mineral density (bone protective effect), and serum lipid levels. The compound's ability to stimulate uterine cell proliferation indicates estrogenic activity in the uterus. Its reduced bone binding capacity compared to Raloxifene suggests that it may have different effects on bone. These studies help establish the compound's tissue selectivity and therapeutic potential.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of LY88074 are not extensively characterized. The compound has molecular formula C₂₁H₁₄O₄S and molecular weight 362.40. It is a synthetic benzothiophene derivative. As a small molecule (molecular weight 362.40), it is expected to have reasonable oral bioavailability and tissue distribution. The compound lacks the basic aminoethylpiperidine side chain of Raloxifene, which may affect its physicochemical properties, including solubility and protein binding. Storage recommendations: follow manufacturer's guidelines. Detailed pharmacokinetic parameters including half-life, clearance, and bioavailability require further investigation from primary research publications.
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| Toxicity/Toxicokinetics |
Toxicological information for LY88074 is not extensively detailed in the available literature. As a research compound with estrogen receptor activity, it should be handled with appropriate safety precautions. Standard safety guidelines for handling potent pharmaceutical compounds apply, including use of personal protective equipment (gloves, safety goggles, lab coat), working in a well-ventilated area, and proper chemical waste disposal. The compound is intended for research use only and is not approved for human therapeutic use. Its ability to stimulate uterine cell proliferation suggests potential estrogenic effects that should be considered in experimental design and safety assessment.
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| References |
[1]. Bivi N, et al. Structural features underlying raloxifene's biophysical interaction with bone matrix. Bioorg Med Chem. 2016 Feb 15;24(4):759-67.
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| Additional Infomation |
LY88074 (CAS 177744-96-6) is a structural analog of the selective estrogen receptor modulator (SERM) Raloxifene, distinguished by the complete removal of the basic aminoethylpiperidine side chain. The compound has molecular formula C₂₁H₁₄O₄S and molecular weight 362.40. LY88074 is an agonist of estrogen receptor beta (ERβ) with an EC₅₀ of 232 nM. It stimulates uterine cell proliferation. The compound's interaction with collagen matrices is significant but lower than that of Raloxifene, and the removal of the aminoethylpiperidine group reduces bone binding capacity compared to Raloxifene. LY88074 has potential use in the treatment of estrogen deprivation syndrome. Purity is typically >97%.
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| Molecular Formula |
C₂₁H₁₄O₄S
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| Molecular Weight |
362.40
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| Exact Mass |
346.066
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| CAS # |
177744-96-6
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| PubChem CID |
9863785
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
5.21
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
3
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| Heavy Atom Count |
26
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| Complexity |
496
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1=CC(=CC=C1C2=C(C3=C(S2)C=C(C=C3)O)C(=O)C4=CC=C(C=C4)O)O
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| InChi Key |
CTMKIRXPVZYQJP-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C21H14O4S/c22-14-5-1-12(2-6-14)20(25)19-17-10-9-16(24)11-18(17)26-21(19)13-3-7-15(23)8-4-13/h1-11,22-24H
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| Chemical Name |
[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-(4-hydroxyphenyl)methanone
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| Synonyms |
LY88074; LY-88074
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.7594 mL | 13.7969 mL | 27.5938 mL | |
| 5 mM | 0.5519 mL | 2.7594 mL | 5.5188 mL | |
| 10 mM | 0.2759 mL | 1.3797 mL | 2.7594 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
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