| Size | Price | |
|---|---|---|
| 500mg | ||
| 1g | ||
| Other Sizes |
| Targets |
NOTCH receptor. LY-3039478 monohydrate is a potent and cell-permeable inhibitor of NOTCH. NOTCH receptors are transmembrane proteins that mediate cell-cell communication and regulate cell fate decisions, proliferation, and differentiation. Dysregulated NOTCH signaling contributes to tumorigenesis in various cancers. By inhibiting NOTCH, LY-3039478 monohydrate blocks NOTCH-mediated signaling and has potential anticancer activity.
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|---|---|
| ln Vitro |
LY-3039478 monohydrate is a potent and cell-permeable NOTCH inhibitor. Quantitative potency data such as IC50 or EC50 values are not extensively reported in the available literature. The compound is described as a novel and potent bioactive compound used in NOTCH research.
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| ln Vivo |
No specific in vivo efficacy data are reported for LY-3039478 monohydrate in animal models in the available literature. The compound is characterized primarily for its in vitro activity as a NOTCH inhibitor. No animal efficacy, pharmacokinetic, or toxicological data are available in the current literature. Its primary utility is as a research tool for studying NOTCH signaling and anticancer strategies targeting NOTCH.
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| Enzyme Assay |
Representative protocol: For NOTCH signaling inhibition assays, cells expressing NOTCH receptors and a NOTCH-responsive reporter gene (e.g., luciferase under control of a CSL-responsive promoter) are treated with test compound. Luciferase activity is measured using a luminometer. The ability of test compound to inhibit NOTCH-induced reporter activity is assessed, and IC50 values are determined.
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| Cell Assay |
Representative protocol: For cell-based assays, cancer cell lines with activated NOTCH signaling (e.g., T-ALL cell lines) are plated in 96-well plates and treated with serial dilutions of test compound for 24 to 72 hours. Cell viability is assessed using MTT or resazurin reduction assays. NOTCH target gene expression (e.g., HES1, HEY1) is measured by RT-qPCR.
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| Animal Protocol |
Representative protocol: For in vivo studies, a general approach for evaluating NOTCH inhibitors involves using xenograft tumor models in immunodeficient mice. Tumor cells with activated NOTCH signaling (e.g., T-ALL cells) are implanted subcutaneously, and when tumors reach a measurable size, mice are randomized to receive vehicle or test compound at various doses via intraperitoneal or oral administration. Tumor growth is monitored by caliper measurement.
|
| Molecular Formula |
C22H25F3N4O5
|
|---|---|
| Molecular Weight |
482.45
|
| Exact Mass |
482.177
|
| CAS # |
1421439-98-6
|
| Related CAS # |
1421438-81-4;1421439-98-6 (H2O);
|
| PubChem CID |
71236991
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| Appearance |
Typically exists as solid at room temperature
|
| Hydrogen Bond Donor Count |
4
|
| Hydrogen Bond Acceptor Count |
9
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
34
|
| Complexity |
720
|
| Defined Atom Stereocenter Count |
2
|
| SMILES |
C[C@@H](C(=O)N[C@H]1C2=CC=CC=C2C3=C(N=CC=C3)N(C1=O)CCO)NC(=O)CCC(F)(F)F.O
|
| InChi Key |
UWNXJDPMHPTTDL-ZYJMRSDMSA-N
|
| InChi Code |
InChI=1S/C22H23F3N4O4.H2O/c1-13(27-17(31)8-9-22(23,24)25)20(32)28-18-15-6-3-2-5-14(15)16-7-4-10-26-19(16)29(11-12-30)21(18)33;/h2-7,10,13,18,30H,8-9,11-12H2,1H3,(H,27,31)(H,28,32);1H2/t13-,18-;/m0./s1
|
| Chemical Name |
4,4,4-trifluoro-N-[(2S)-1-[[(7S)-5-(2-hydroxyethyl)-6-oxo-7H-pyrido[2,3-d][3]benzazepin-7-yl]amino]-1-oxopropan-2-yl]butanamide;hydrate
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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 | 2.0728 mL | 10.3638 mL | 20.7275 mL | |
| 5 mM | 0.4146 mL | 2.0728 mL | 4.1455 mL | |
| 10 mM | 0.2073 mL | 1.0364 mL | 2.0728 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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