PKC-theta inhibitor 1

Name: PKC-theta inhibitor 1
Brand: MedChemExpress
SKU: HY-126328
Rating: 4.5 (1 reviews)

Cat. No.: HY-126328 Purity: 99.73%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

PKC-theta inhibitor 1 is the PKCθ inhibitor with an K_i value of 6 nM, inhibits IL-2 production in vivo with an IC₅₀ of 0.19 μM. PKC-theta inhibitor 1 demonstrates a reduction of symptoms in a mouse model of multiple sclerosis.

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

PKC-theta inhibitor 1 Chemical Structure

CAS No. : 1160501-81-4

Size	Price	Stock	Quantity
1 mg	USD 316	In-stock	Estimated Time of Arrival: December 31
5 mg	USD 950	In-stock	Estimated Time of Arrival: December 31
10 mg		Get quote
50 mg		Get quote

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Customer Review

Based on 1 publication(s) in Google Scholar

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•Related Screening Libraries:

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View All PKC Isoform Specific Products:

View All Isoforms

PKC PKCα PKCβ PKCγ PKCδ PKCε PKCη PKCζ PKCθ PKCμ PKC-ι ℩ PKCι

Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target^[1]

PKCθ

6 nM (Ki)

PKCδ

392 μM (Ki)

PKCα

1020 μM (Ki)

IL-2 production

0.19 μM (IC₅₀)

Cellular Effect

Cell Line	Type	Value	Description	References
HFL1	IC₅₀	> 10 μM Compound: 22	Cytotoxicity against human HFL1 cells assessed as growth inhibition measured after 48 hrs by 3H-thymidine incorporation assay Cytotoxicity against human HFL1 cells assessed as growth inhibition measured after 48 hrs by 3H-thymidine incorporation assay	[PMID: 31417666]
PBMC	IC₅₀	0.21 μM Compound: 22	Inhibition of IL-2 secretion from human PBMC cells stimulated with anti-CD3/CD28 measured after 24 hrs by bead-based FLISA Inhibition of IL-2 secretion from human PBMC cells stimulated with anti-CD3/CD28 measured after 24 hrs by bead-based FLISA	[PMID: 31417666]

Molecular Weight

348.32

Formula

C₁₇H₁₅F₃N₄O

CAS No.

1160501-81-4

Appearance

Solid

Color

White to off-white

SMILES

NCC1(C2=CC=CC(C3=C4C(NN=C4C(F)(F)F)=NC=C3)=C2)COC1

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (287.09 mM; Need ultrasonic; 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	2.8709 mL	14.3546 mL	28.7092 mL
5 mM	0.5742 mL	2.8709 mL	5.7418 mL
10 mM	0.2871 mL	1.4355 mL	2.8709 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, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

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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 (7.18 mM); Clear solution; Need ultrasonic

This protocol yields a clear solution of 2.5 mg/mL.
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 (7.18 mM); Clear solution; Need ultrasonic

This protocol yields a clear solution of 2.5 mg/mL.
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 (7.18 mM); Clear solution; Need ultrasonic

This protocol yields a clear solution of 2.5 mg/mL. 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.

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: 99.73%

Select Batch:

Data Sheet (276 KB) SDS (251 KB)

COA (254 KB) HNMR (140 KB) RP-HPLC (168 KB) LCMS (390 KB)

Handling Instructions (2659 KB)

References

[1]. Collier PN, et al. Discovery of Selective, Orally Bioavailable Pyrazolopyridine Inhibitors of Protein Kinase Cθ (PKCθ) That Ameliorate Symptoms of Experimental Autoimmune Encephalomyelitis. ACS Med Chem Lett. 2019 Jun 27;10(8):1134-1139. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	2.8709 mL	14.3546 mL	28.7092 mL	71.7731 mL
	5 mM	0.5742 mL	2.8709 mL	5.7418 mL	14.3546 mL
	10 mM	0.2871 mL	1.4355 mL	2.8709 mL	7.1773 mL
	15 mM	0.1914 mL	0.9570 mL	1.9139 mL	4.7849 mL
	20 mM	0.1435 mL	0.7177 mL	1.4355 mL	3.5887 mL
	25 mM	0.1148 mL	0.5742 mL	1.1484 mL	2.8709 mL
	30 mM	0.0957 mL	0.4785 mL	0.9570 mL	2.3924 mL
	40 mM	0.0718 mL	0.3589 mL	0.7177 mL	1.7943 mL
	50 mM	0.0574 mL	0.2871 mL	0.5742 mL	1.4355 mL
	60 mM	0.0478 mL	0.2392 mL	0.4785 mL	1.1962 mL
	80 mM	0.0359 mL	0.1794 mL	0.3589 mL	0.8972 mL
	100 mM	0.0287 mL	0.1435 mL	0.2871 mL	0.7177 mL