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CH5138303 HSP (HSP90) inhibitor

Name: CH5138303
Brand: Selleck Chemicals
SKU: S7340
Availability: InStock
Rating: 5 (1 reviews)

Cat.No.S7340

CH5138303 is an orally available Hsp90 inhibitor with K_d of 0.48 nM.

Chemical Structure

Molecular Weight: 415.9

Jump to Mechanism of Action Cell Culture & Working Concentration Solubility Chemical Information, Storage & Stability Specificity

Quality Control

Batch: S734001 DMSO]83 mg/mL]false]Water]Insoluble]false]Ethanol]Insoluble]false Purity: 99.05%

99.05

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Cell Culture, Treatment & Working Concentration

Cell Lines	Assay Type	Concentration	Incubation Time	Activity Description
NCI-N87 cells	Cytotoxicity assay		4 days	Cytotoxicity against human NCI-N87 cells after 4 days by CCk-8 assay, IC50=0.066 μM
HCT116 cells	Cytotoxicity assay		4 days	Cytotoxicity against human HCT116 cells after 4 days by CCk-8 assay, IC50=0.098 μM
NCI-N87 cells	Function assay	0.04 to 5 uM	24 h	Inhibition of Hsp90 in human NCI-N87 cells assessed as reduction in EGFR protein level at 0.04 to 5 uM after 24 hrs by Western blotting analysis
Click to View More Cell Line Experimental Data

Chemical Information, Storage & Stability

Molecular Weight	415.9	Formula	C₁₉ H₁₈ Cl N₅ O₂ S	Storage (From the date of receipt)	3 years-20°Cpowder
CAS No.	959763-06-5	Download SDF		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	N/A			Smiles	C1C2=C3C(=CC(=C(C3=CC=C2)C4=NC(=NC(=N4)SCCCC(=O)N)N)Cl)CO1

Solubility

In vitro
Batch:

DMSO : 83 mg/mL ( (199.56 mM) Moisture-absorbing DMSO reduces solubility. Please use fresh DMSO.)

Water : Insoluble

Ethanol : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
=	×	×

Dilution Calculator Molecular Weight Calculator

In vivo Batch:
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.
Clear solution	5%DMSO 1 40%PEG300 2 5%Tween80 3 50%ddH2O Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	4.150mg/ml (9.98mM)	Taking the 1 mL working solution as an example, add 50 μL of 83 mg/ml clarified DMSO stock solution to 400 μL of PEG300, mix evenly to clarify it; add 50 μL of Tween80 to the above system, mix evenly to clarify; then continue to add 500 μL of ddH2O to adjust the volume to 1 mL. The mixed solution should be used immediately for optimal results.
Clear solution	5% DMSO 1 95% Corn oil Validated by Selleck labs. Should you need adjustments to this formulation, contact our sales team for custom testing.	0.690mg/ml (1.66mM)	Taking the 1 mL working solution as an example, add 50 μL of 13.8 mg/ml clear DMSO stock solution to 950 μL of corn oil and mix evenly. The mixed solution should be used immediately for optimal results.

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

Dosage: mg/kg Average weight of animals: g Dosing volume per animal:μL Number of animals:

Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO + % + % Tween 80 + % ddH₂O

%DMSO+ %

Calculation results:

Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid 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 master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such
as vortex, ultrasound or hot water bath can be used to aid dissolving.

Mechanism of Action

Targets/IC₅₀/Ki	HSP90α ^[1] (Cell-free assay) 0.48 nM(Kd)
In vitro	CH5138303 shows high affinity to Hsp90α and potent cell growth inhibitory activity against an HCT116 colorectal cancer cell line and an NCI-N87 gastric cancer cell line with IC50 of 98 nM and 66 nM, respectively. [1] Besides, this compound also demonstrates liver microsomal stability. ^[1]
Kinase Assay	Surface plasmon resonance direct binding assay for Hsp90α
Kinase Assay	Measurements are performed on a Biacore2000 at a flow rate of 30 μL/min, 25 °C in 50 mM Tris-based saline, pH 7.6, 0.005% Tween20 and 1% DMSO. Biotinylated N-terminal Hsp90α (9–236) is coupled on a streptavidin-coated surface of a sensorchip to a density of ca. 2000 RU.
In vivo	CH5138303 (50 mg/kg p.o.) displays high oral bioavailability in mice and produces potent antitumor efficacy in a human NCI-N87 gastric cancer xenograft model.^[1]
References	https://pubmed.ncbi.nlm.nih.gov/24369839/

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