| Size | Price | Stock | Qty |
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| 1mg |
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| Other Sizes |
| Targets |
HSP90[1]
HSP90 (Heat Shock Protein 90). HSP90-IN-27 (compound 19) is an inhibitor of this molecular chaperone. By binding to the ATP-binding pocket of HSP90, it prevents the maturation and activation of client oncoproteins, leading to their proteasomal degradation. |
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| ln Vitro |
In vitro, HSP90-IN-27 is an effective HSP90 inhibitor for cancer research. It inhibits the ATPase activity of HSP90, which is necessary for the chaperone cycle. This leads to the degradation of HSP90 client proteins, such as AKT, HER2, and CDK4, in a concentration-dependent manner in cancer cell lines. This effect results in cell cycle arrest and the induction of apoptosis, though specific IC50 values may vary depending on the cell line and client protein studied.
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| ln Vivo |
In vivo efficacy of HSP90-IN-27 has been reported in preclinical cancer models (e.g., mouse xenografts), though detailed protocols are not widely published. As an HSP90 inhibitor, it is expected to inhibit tumor growth by destabilizing multiple oncogenic proteins simultaneously, making it a valuable research compound for studying mechanisms of cancer progression, drug resistance, and proteostasis in live animals.
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| Enzyme Assay |
For non-cellular ATPase assays, purified human HSP90alpha or beta is incubated in a reaction buffer (e.g., 50 mM Hepes, pH 7.5, 20 mM KCl, 5 mM MgCl2) with an ATP regeneration system. HSP90-IN-27 is added at varying concentrations (0.1-100 uM). The reaction is initiated by adding ATP, and the amount of free phosphate (Pi) released is quantified using a malachite green-based colorimetric assay. IC50 values are calculated from the dose-response curves.
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| Cell Assay |
For degradation assays, cancer cells (e.g., SKBR3, MCF-7, or A549) are treated with HSP90-IN-27 (0.1-10 uM) for 24-72 hours. Cell lysates are prepared, and the levels of HSP90 client proteins (e.g., HER2, AKT, RAF-1) are analyzed by Western blot. The induction of the heat shock response (e.g., upregulation of HSP70 and HSP27) is also assessed as a pharmacodynamic biomarker of HSP90 inhibition. Cell viability is measured using the MTT assay to determine antiproliferative IC50s.
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| Animal Protocol |
For efficacy studies, HSP90-IN-27 is typically administered intraperitoneally or orally to mice bearing subcutaneous tumor xenografts (e.g., SKBR3 or NCI-H1975). Doses are optimized in the literature but typically range from 50-100 mg/kg given every other day. Tumor volume is measured with calipers. At endpoint, tumors are excised for client protein analysis (Western blot) and immunohistochemistry for proliferation (Ki-67) and apoptosis (cleaved Caspase-3).
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| ADME/Pharmacokinetics |
HSP90-IN-27 has a molecular weight of 343.44 g/mol and a molecular formula of C18H21N3O2S. It is a solid compound that is soluble in DMSO. For in vivo administration, it can be formulated in a vehicle containing 10% DMSO, 40% PEG300, 5% Tween-80, and 45% saline. Pharmacokinetic parameters (e.g., half-life, Cmax, AUC) are likely determined by standard LC-MS/MS methods but are not extensively published. The powder is stored at -20degC.
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| Toxicity/Toxicokinetics |
Detailed toxicological data for HSP90-IN-27 are limited to safety data sheets and preclinical summaries. It is classified as a research chemical and is not for human use. Standard laboratory safety precautions should be followed: avoid skin contact, eye contact, and inhalation. As with many HSP90 inhibitors, potential toxicity related to the gastrointestinal tract (diarrhea, nausea) and liver function may occur, but specific data for this compound are not available.
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| References | |
| Additional Infomation |
HSP90-IN-27 (compound 19) is not an FDA-approved drug. It is a research-grade compound used to study the biology of HSP90 and to validate it as a target for cancer therapy. HSP90 inhibitors are a class of drugs that have faced clinical challenges due to toxicity and the induction of a protective heat shock response, making them valuable tools for understanding chaperone biology despite their translational hurdles.
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| Molecular Formula |
C18H21N3O2S
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|---|---|
| Molecular Weight |
343.443
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| Exact Mass |
343.135
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| CAS # |
525577-38-2
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| PubChem CID |
842058
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
2.9
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
4
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
24
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| Complexity |
533
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CN1N=C(C)C(CN(S(C2C=CC3=CC=CC=C3C=2)(=O)=O)C)=C1C
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| InChi Key |
QQFAOBCJMZDGFZ-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C18H21N3O2S/c1-13-18(14(2)21(4)19-13)12-20(3)24(22,23)17-10-9-15-7-5-6-8-16(15)11-17/h5-11H,12H2,1-4H3
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| Chemical Name |
N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]naphthalene-2-sulfonamide
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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 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.) |
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| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.9117 mL | 14.5586 mL | 29.1172 mL | |
| 5 mM | 0.5823 mL | 2.9117 mL | 5.8234 mL | |
| 10 mM | 0.2912 mL | 1.4559 mL | 2.9117 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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