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TAS-116 (Pimitespib) HSP90 Inhibitor

Name: TAS-116 (Pimitespib)
Brand: Selleck Chemicals
SKU: S7716
Rating: 5 (5 reviews)

Cat.No.S7716

Pimitespib (TAS-116) is a novel, small-molecule HSP90 inhibitor which inhibits geldanamycin-FITC binding to HSP90 proteins with Ki values of 34.7 nmol/L, 21.3 nmol/L, >50,000 nmol/L, and >50,000 nmol/L for HSP90α, HSP90β, GRP94, and TRAP1, respectively. Furthermore, TAS-116 does not inhibit other ATPases such as HSP70 (IC50 >200 μmol/L).

Chemical Structure

Molecular Weight: 454.53

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Quality Control

Batch: S771601 DMSO]91 mg/mL]false]Ethanol]11 mg/mL]false]Water]Insoluble]false Purity: 99.32%

Cited in Nature Medicine for its top-tier quality
COA
SDS
Datasheet

99.32

Related Targets	Akt Wnt/beta-catenin PKC ROCK Microtubule Associated Integrin Bcr-Abl Actin FAK Kinesin
Other HSP Inhibitors	Tanespimycin (17-AAG) Elesclomol (STA-4783) Luminespib (NVP-AUY922) Ganetespib (STA-9090) Alvespimycin (17-DMAG) Hydrochloride VER-155008 Onalespib (AT13387) BIIB021 Zelavespib (PU-H71) HSP990 (NVP-HSP990)

Chemical Information, Storage & Stability

Molecular Weight	454.53	Formula	C₂₅H₂₆N₈O	Storage (From the date of receipt)	3 years -20°C powder
CAS No.	1260533-36-5	--		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	N/A			Smiles	CCC1=C(C=CC(=C1)C(=O)N)N2C3=NC=CC(=C3C(=N2)C(C)C)N4C=C(N=C4)C5=CN(N=C5)C

Solubility

In vitro
Batch:

DMSO : 91 mg/mL (200.2 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Ethanol : 11 mg/mL

Water : 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.	5.000mg/ml (11.00mM)	Taking the 1 mL working solution as an example, add 50 μL of 100 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.	0.600mg/ml (1.32mM)	Taking the 1 mL working solution as an example, add 50 μL of 12 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+ %

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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	HSP90β (Cell-free assay) 21.3 nM(Ki) HSP90α (Cell-free assay ) 34.7 nM(Ki)
In vitro	Pimitespib (TAS-116) is a selective inhibitor of cytosolic HSP90α and β that does not inhibit HSP90 paralogs such as endoplasmic reticulum GRP94 or mitochondrial TRAP1. Treatment of HCT116 cells with 0.3 μmol/L of this compound for 8 hours results in reduced levels of DDR1, which interacts with HSP90α and induction of HSP70, which is a surrogate marker of cytosolic HSP90 inhibition.
In vivo	Oral administration of Pimitespib (TAS-116) leads to tumour shrinkage in human tumour xenograft mouse models accompanied by depletion of multiple HSP90 clients. In a rat model, the anti-tumour activity of this compound is accompanied by a higher distribution in subcutaneously xenografted NCI-H1975 non-small cell lung carcinoma tumours than in retina. It shows activity against orthotopically transplanted NCI-H1975 lung tumours. Pharmacokinetic profiling in rodent and non-rodent species shows that TAS-116 is orally absorbed and had a bioavailability of almost 100% in mice, 69.0% in rats, and 73.9% in dogs without special formulation. In a HER2-expressing NCI-N87 human gastric cancer xenograft mouse model, chronic administration is tolerable, with the average weight loss in mice not exceeding 10% during the treatment period.
References	[1] https://pubmed.ncbi.nlm.nih.gov/25416789/

Applications

Methods	Biomarkers	Images	PMID
Western blot	p-B-Raf / B-raf / p-C-Raf / C-Raf / p-MEK / MEK / p-ERK / ERK / p-AKT / AKT / PARP		26630652
Growth inhibition assay	Cell viability		26630652

Clinical Trial Information

(data from https://clinicaltrials.gov, updated on 2024-05-22)

NCT Number	Recruitment	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT05655598	Recruiting	Advanced Breast Cancer\|Treatment-Refractory Solid Tumors\|Retinoblastoma Deficiency\|SCLC\|Soft Tissue Sarcoma\|Endometrial Cancer\|Bladder Cancer	Brown University	September 12 2023	Phase 1
NCT02965885	Completed	Advanced Solid Tumors	Taiho Oncology Inc.	July 10 2017	Phase 1

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