Onalespib (Synonyms: AT13387)

Name: Onalespib
Brand: MedChemExpress
SKU: HY-14463
Rating: 5.0 (11 reviews)

Cat. No.: HY-14463 Purity: 99.92%: FAQs
Data Sheet
SDS

COA
Handling Instructions Technical Support

Onalespib (AT13387) is a potent and cross the blood-brain barrier heat-shock-protein-90 (Hsp90) inhibitor. Onalespib inhibits the proliferation, survival and migration. Onalespib decreases the expression of EGFR, p-EGFR, AKT, P-AKT, ERK1/2, P-ERK1/2, S6, P-S6 protein. Onalespib shows antitumor activity. Onalespib has the potential for the research of non-small cell lung cancer (NSCLC).

For research use only. We do not sell to patients.

Onalespib Chemical Structure

CAS No. : 912999-49-6

Size	Stock	Quantity

Free Sample (0.1 - 0.5 mg)	Apply Now
Solid + Solvent (Highly Recommended)
10 mM * 1 mL in DMSO ready for reconstitution	In-stock	Estimated Time of Arrival: December 31
Solution
10 mM * 1 mL in DMSO	In-stock	Estimated Time of Arrival: December 31
Solid
5 mg	In-stock	Estimated Time of Arrival: December 31
10 mg	In-stock	Estimated Time of Arrival: December 31
50 mg	In-stock	Estimated Time of Arrival: December 31
100 mg	In-stock	Estimated Time of Arrival: December 31
200 mg	Get quote
500 mg	Get quote

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Customer Review

Based on 11 publication(s) in Google Scholar

Other Forms of Onalespib:

Onalespib lactate Get quote
AT13387 trifluoroacetate Get quote

10 Publications Citing Use of MCE Onalespib

Proliferation Assay

: Onalespib purchased from MedChemExpress. Usage Cited in: Sci Rep. 2017 Mar 15;7(1):201. [Abstract]; For the caspase 3/7 assay, the HSP90 inhibitor-treated 5637 or SV-HUC cells are stained with Nexcelom ViaStain Caspase 3/7 reagent and Hoechst 33342. Caspase 3/7 positive cells are identified using the Celigo imaging cytometer, and the percentage of apoptotic caspase 3/7 positive cells is calculated with the Celigo software.

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Biological Activity
Protocol
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target^[1]

HSP90

0.71 nM (Kd)

Cellular Effect

Cell Line	Type	Value	Description	References
A549	IC₅₀	0.05 μM Compound: 8; AT13387	Antiproliferative activity against human A549 assessed as reduction in cell viability incubated for 72 hrs by MTT assay Antiproliferative activity against human A549 assessed as reduction in cell viability incubated for 72 hrs by MTT assay	[PMID: 27933959]
A549	IC₅₀	0.44 μM Compound: AT13387	Antiproliferative activity against human A549 cells after 72 hrs by MTT assay Antiproliferative activity against human A549 cells after 72 hrs by MTT assay	[PMID: 30784881]
BT-474	IC₅₀	0.032 μM Compound: 8; AT13387	Antiproliferative activity against human BT-474 assessed as reduction in cell viability incubated for 72 hrs by MTT assay Antiproliferative activity against human BT-474 assessed as reduction in cell viability incubated for 72 hrs by MTT assay	[PMID: 27933959]
GIST430	IC₅₀	34 nM Compound: 8; AT-13387	Cytotoxicity against imatinib-resistant human GIST430 cells assessed as decrease in cell viability after 7 days by alamar blue assay Cytotoxicity against imatinib-resistant human GIST430 cells assessed as decrease in cell viability after 7 days by alamar blue assay	[PMID: 26844689]
GIST48	IC₅₀	55 nM Compound: 8; AT-13387	Cytotoxicity against imatinib-resistant human GIST48 cells assessed as decrease in cell viability after 7 days by alamar blue assay Cytotoxicity against imatinib-resistant human GIST48 cells assessed as decrease in cell viability after 7 days by alamar blue assay	[PMID: 26844689]
HCT-116	IC₅₀	0.07 μM Compound: 8; AT13387	Antiproliferative activity against human HCT-116 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay Antiproliferative activity against human HCT-116 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay	[PMID: 27933959]
HCT-116	IC₅₀	0.08 μM Compound: AT-13387	Antiproliferative activity against human HCT116 cells after 48 hrs by MTT assay Antiproliferative activity against human HCT116 cells after 48 hrs by MTT assay	[PMID: 24763261]
HCT-116	IC₅₀	48 nM Compound: 35	Cytotoxicity against human HCT116 cells by Alamar blue assay Cytotoxicity against human HCT116 cells by Alamar blue assay	[PMID: 20662534]
HepG2	IC₅₀	0.018 μM Compound: 8; AT13387	Antiproliferative activity against human HepG2 assessed as reduction in cell viability incubated for 72 hrs by MTT assay Antiproliferative activity against human HepG2 assessed as reduction in cell viability incubated for 72 hrs by MTT assay	[PMID: 27933959]
K562	IC₅₀	0.038 μM Compound: 8; AT13387	Antiproliferative activity against human K562 assessed as reduction in cell viability incubated for 72 hrs by MTT assay Antiproliferative activity against human K562 assessed as reduction in cell viability incubated for 72 hrs by MTT assay	[PMID: 27933959]
L02	IC₅₀	11.64 μM Compound: 8; AT13387	Cytotoxicity against human L02 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay Cytotoxicity against human L02 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay	[PMID: 27933959]
MCF7	IC₅₀	0.02 μM Compound: 8; AT13387	Antiproliferative activity against human MCF7 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay Antiproliferative activity against human MCF7 cells assessed as reduction in cell viability incubated for 72 hrs by MTT assay	[PMID: 27933959]
MCF7	IC₅₀	0.032 μM Compound: AT13387	Antiproliferative activity against human MCF7 cells incubated for 72 hrs by MTT assay Antiproliferative activity against human MCF7 cells incubated for 72 hrs by MTT assay	[PMID: 29028527]
MCF7	IC₅₀	0.28 μM Compound: AT-13387	Antiproliferative activity against human MCF7 cells after 48 hrs by MTT assay Antiproliferative activity against human MCF7 cells after 48 hrs by MTT assay	[PMID: 24763261]
MCF7	IC₅₀	0.29 μM Compound: AT13387	Antiproliferative activity against human MCF7 cells after 72 hrs by MTT assay Antiproliferative activity against human MCF7 cells after 72 hrs by MTT assay	[PMID: 30784881]
MDA-MB-231	IC₅₀	0.038 μM Compound: 8; AT13387	Antiproliferative activity against human MDA-MB-231 assessed as reduction in cell viability incubated for 72 hrs by MTT assay Antiproliferative activity against human MDA-MB-231 assessed as reduction in cell viability incubated for 72 hrs by MTT assay	[PMID: 27933959]
MDA-MB-468	IC₅₀	0.066 μM Compound: 8; AT13387	Antiproliferative activity against human MDA-MB-468 assessed as reduction in cell viability incubated for 72 hrs by MTT assay Antiproliferative activity against human MDA-MB-468 assessed as reduction in cell viability incubated for 72 hrs by MTT assay	[PMID: 27933959]
MKN-28	IC₅₀	0.129 μM Compound: 8; AT13387	Antiproliferative activity against human MKN-28 assessed as reduction in cell viability incubated for 72 hrs by MTT assay Antiproliferative activity against human MKN-28 assessed as reduction in cell viability incubated for 72 hrs by MTT assay	[PMID: 27933959]
MV4-11	IC₅₀	0.011 μM Compound: 8; AT13387	Antiproliferative activity against human MV4-11 assessed as reduction in cell viability incubated for 72 hrs by MTT assay Antiproliferative activity against human MV4-11 assessed as reduction in cell viability incubated for 72 hrs by MTT assay	[PMID: 27933959]
NCI-H1299	IC₅₀	0.37 μM Compound: AT13387	Antiproliferative activity against human NCI-H1299 cells after 72 hrs by MTT assay Antiproliferative activity against human NCI-H1299 cells after 72 hrs by MTT assay	[PMID: 30784881]
NCI-H3122	IC₅₀	52 nM Compound: AT13387	Antiproliferative activity against human NCI-H3122 cells after 72 hrs by SRB assay Antiproliferative activity against human NCI-H3122 cells after 72 hrs by SRB assay	[PMID: 29698859]
SK-BR-3	IC₅₀	0.045 μM Compound: AT13387	Antiproliferative activity against human SKBR3 cells incubated for 72 hrs by MTT assay Antiproliferative activity against human SKBR3 cells incubated for 72 hrs by MTT assay	[PMID: 29028527]
SK-BR-3	IC₅₀	0.071 μM Compound: 8; AT13387	Antiproliferative activity against human SK-BR-3 assessed as reduction in cell viability incubated for 72 hrs by MTT assay Antiproliferative activity against human SK-BR-3 assessed as reduction in cell viability incubated for 72 hrs by MTT assay	[PMID: 27933959]
SK-BR-3	IC₅₀	0.14 μM Compound: AT-13387	Antiproliferative activity against human SKBR3 cells after 48 hrs by MTT assay Antiproliferative activity against human SKBR3 cells after 48 hrs by MTT assay	[PMID: 24763261]
T47D	IC₅₀	0.024 μM Compound: 8; AT13387	Antiproliferative activity against human T47D assessed as reduction in cell viability incubated for 72 hrs by MTT assay Antiproliferative activity against human T47D assessed as reduction in cell viability incubated for 72 hrs by MTT assay	[PMID: 27933959]
U2OS	IC₅₀	0.067 μM Compound: 8; AT13387	Antiproliferative activity against human U2OS assessed as reduction in cell viability incubated for 72 hrs by MTT assay Antiproliferative activity against human U2OS assessed as reduction in cell viability incubated for 72 hrs by MTT assay	[PMID: 27933959]

In Vitro

Onalespib (0-0.4 µM; 72 h, 48 h) inhibits the proliferation, survival and migration of glioma cells^[2].
Onalespib (0-0.4 µM; 48 h) decreases the expression of EGFR, p-EGFR, AKT, P-AKT, ERK1/2, P-ERK1/2, S6, P-S6 protein in a dose-dependent manner^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

Onalespib (30 mg/kg; i.v.; once) crosses the blood-brain barrier (BBB) and causes sustained inhibition of HSP90 in 6-week-old ICR mice^[2].
Onalespib (0.5 µM; from 5 to 10 days post-transplant) and TMZ (10 µM) reduce tumor growth and extend survival in zebrafish embryos^[2].
Onalespib (5, 10 mg/kg for HCT116 xenografts, 20 mg/kg for A431 xenografts; i.p.; daily for 3 days) shows anti-tumor activity in HCT116 and A431 xenografts^[3].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

Clinical Trial

Molecular Weight

409.52

Formula

C₂₄H₃₁N₃O₃

CAS No.

912999-49-6

Appearance

Solid

Color

White to off-white

SMILES

OC1=CC(O)=C(C(C)C)C=C1C(N2CC(C=CC(CN3CCN(C)CC3)=C4)=C4C2)=O

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	2 years
	-20°C	1 year

Solvent & Solubility

In Vitro:

DMSO : 50 mg/mL (122.09 mM; ultrasonic and warming and heat to 60°C; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.4419 mL	12.2094 mL	24.4188 mL
5 mM	0.4884 mL	2.4419 mL	4.8838 mL
10 mM	0.2442 mL	1.2209 mL	2.4419 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 2 years; -20°C, 1 year. When stored at -80°C, please use it within 2 years. When stored at -20°C, please use it within 1 year.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 2.5 mg/mL (6.10 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 2.5 mg/mL (6.10 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 2.5 mg/mL (6.10 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

For the following dissolution methods, please prepare the working solution directly. It is recommended to prepare fresh solutions and use them promptly within a short period of time.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 50% PEG300 50% Saline
Solubility: 16.67 mg/mL (40.71 mM); Suspended solution; Need ultrasonic

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 99.92%

Select Batch:

Data Sheet (277 KB) SDS (393 KB)

COA (247 KB) HNMR (140 KB) LCMS (97 KB)

Handling Instructions (2659 KB)

References

[1]. Woodhead AJ, et al. Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design. J Med Chem. 2010 Aug 26;53 [Content Brief]

[2]. Kang MH, et al. Initial testing (Stage 1) of AT13387, an HSP90 inhibitor, by the pediatric preclinical testing program. Pediatr Blood Cancer. 2012 Jul 15;59(1):185-8. [Content Brief]

Animal Administration
^[1]

HCT116 cells are injected SC into the right hind flank of male nude BALB/c mice. Tumours are apparent 7 to 10 days later. Mice are arranged into matched groups of 12 according to tumour volume giving a group mean of approximately 100 mm^[3] at initiation of dosing. Tumour volumes are measured every 2 days. Statistical significance between groups is assessed using nonparametric one-way ANOVA. Mice are given the lactate salt of Onalespib using a repeated cycle of dosing of once per day for three days, no dose for three days, once per day for three days etc., for four dosing cycles at 60 mg/kg/dose (as free base equivalents) dissolved in 17.5% hydroxypropyl-β-cyclodextrin via the IP route. Control mice receive dose vehicle only via the same route. Tolerability is assessed by recording body weight, clinical observations and survival^[1].

MCE has not independently confirmed the accuracy of these methods. They are for reference only.

References

[1]. Woodhead AJ, et al. Discovery of (2,4-dihydroxy-5-isopropylphenyl)-[5-(4-methylpiperazin-1-ylmethyl)-1,3-dihydroisoindol-2-yl]methanone (AT13387), a novel inhibitor of the molecular chaperone Hsp90 by fragment based drug design. J Med Chem. 2010 Aug 26;53 [Content Brief]

[2]. Kang MH, et al. Initial testing (Stage 1) of AT13387, an HSP90 inhibitor, by the pediatric preclinical testing program. Pediatr Blood Cancer. 2012 Jul 15;59(1):185-8. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	2.4419 mL	12.2094 mL	24.4188 mL	61.0471 mL
	5 mM	0.4884 mL	2.4419 mL	4.8838 mL	12.2094 mL
	10 mM	0.2442 mL	1.2209 mL	2.4419 mL	6.1047 mL
	15 mM	0.1628 mL	0.8140 mL	1.6279 mL	4.0698 mL
	20 mM	0.1221 mL	0.6105 mL	1.2209 mL	3.0524 mL
	25 mM	0.0977 mL	0.4884 mL	0.9768 mL	2.4419 mL
	30 mM	0.0814 mL	0.4070 mL	0.8140 mL	2.0349 mL
	40 mM	0.0610 mL	0.3052 mL	0.6105 mL	1.5262 mL
	50 mM	0.0488 mL	0.2442 mL	0.4884 mL	1.2209 mL
	60 mM	0.0407 mL	0.2035 mL	0.4070 mL	1.0175 mL
	80 mM	0.0305 mL	0.1526 mL	0.3052 mL	0.7631 mL
	100 mM	0.0244 mL	0.1221 mL	0.2442 mL	0.6105 mL

Onalespib Related Classifications

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

Onalespib912999-49-6AT13387AT 13387AT-13387HSPHeat shock proteinsInhibitorinhibitorinhibit

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Onalespib (Synonyms: AT13387)

Customer Review

Other Forms of Onalespib:

Onalespib Related Antibodies

10 Publications Citing Use of MCE Onalespib

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•Related Screening Libraries:

•Related Small Molecules:

•Related Proteins:

View All HSP Isoform Specific Products:

Biological Activity

Protocol

Purity & Documentation

References

Customer Review

Onalespib Related Antibodies

Molarity Calculator

Dilution Calculator

Complete Stock Solution Preparation Table

Onalespib Related Classifications

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