Art. -Nr.: HY-136427

KRM-III

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KRM-III is an orally active TCR inhibitor and NFAT inhibitor with an IC₅₀ of 5 μM against NFAT. KRM-III has no effect on the activation of nuclear factor-κB. KRM-III inhibits T cell proliferation induced by T cell antigen receptor stimulation. KRM-III abrogates anti-CD3 antibody-induced cell activation in vivo. KRM-III reduces paw pad swelling in delayed-type hypersensitivity induced by Bovine serum albumin (HY-D0842). KRM-III alleviates the severity of experimental autoimmune encephalomyelitis (EAE) in mice. KRM-III can be used in studies related to experimental autoimmune encephalomyelitis.

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Reinheit: 98.08%
CAS. Nr.: 79220-94-3
Formel: C₁₅H₁₂N₂S
Molecular Weight:252.33

Speicherung:

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

KRM-III Chemical Structure

CAS. Nr.: 79220-94-3

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Biologische Aktivität
- Beschreibung
- In Vitro
- Parmacokinetics
- In Vivo
Chemical Information
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

In Vitro

KRM-III (0.4-50 μM; 3 h) specifically inhibits NFAT activation induced by TCR and PMA/Ionomycin (HY-13434) (but does not inhibit NF-κB activation) in Jurkat T cells, with an IC₅₀ of 5 μM^[1].
KRM-III (0.16-100 μM; 3 h) inhibits TCR-induced proliferation of splenocytes from C57BL/6 mice, with an IC₅₀ of 4 μM, and shows no non-specific cytotoxicity^[1].
KRM-III (0.8-50 μM) inhibits the one-way mixed lymphocyte reaction with an IC₅₀ of 5 μM^[1].

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

Parmacokinetics

Species	Dose	Route	T_max	C_max	T_1/2	AUC_all	AUC_inf
Mice^[1]	10 mg/kg	p.o.	4.00 h	0.23 μg/mL	7.09 h	1.54 μg·h/mL	1.69 μg·h/mL

In Vivo

KRM-III (10-90 mg/kg; p.o.; single dose) inhibits anti-CD3-induced IL-2 production in female BALB/c mice with an ED₅₀ of 9.9 mg/kg, achieving 98% suppression at 90 mg/kg^[1].
KRM-III (10-90 mg/kg; p.o.; daily; 10 days) reduces footpad swelling in a murine delayed-type hypersensitivity model by 45.8% at a daily oral dose of 90 mg/kg^[1].
KRM-III (20-100 mg/kg; p.o.; daily; up to 30 days) reduces clinical severity, inflammatory cell infiltration, and MOG-specific T-cell proliferation in a murine experimental autoimmune encephalomyelitis model, with significant efficacy at 90 and 100 mg/kg daily doses^[1].
KRM-III (100 mg/kg; p.o.; daily; 20 days) significantly reduces clinical severity in established murine experimental autoimmune encephalomyelitis^[1].

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

Animal Model:

BALB/c (6- to 10-week-old female; intravenous inoculation of anti-CD3 antibody)^[1]
Dosage:

10 mg/kg; 30 mg/kg; 90 mg/kg
Administration:

p.o.; single dose
Result:

Achieved an ED₅₀ of 9.9 mg/kg for inhibition of anti-CD3-induced IL-2 production.
Suppressed IL-2 production by up to 98% (p < 0.01) compared to vehicle controls at 90 mg/kg.

Animal Model:

C57BL/6 (6- to 10-week-old female; intradermal immunization with methylated bovine serum albumin in complete Freund's adjuvant, followed by footpad challenge)^[1]
Dosage:

10 mg/kg; 30 mg/kg; 90 mg/kg
Administration:

p.o.; daily; 10 days
Result:

Reduced footpad swelling by 45.8% (p < 0.01) compared to vehicle controls at 90 mg/kg/day.

Animal Model:

C57BL/6 (6- to 10-week-old female; subcutaneous immunization with MOG_35-55 peptide in complete Freund's adjuvant, plus intraperitoneal pertussis toxin on day 0 and day 2; prophylactic treatment)^[1]
Dosage:

20 mg/kg; 90 mg/kg; 100 mg/kg
Administration:

p.o.; daily; up to 30 days
Result:

Reduced mean maximal clinical score to 2.36 (p < 0.05 vs. vehicle) and resulted in 25% of mice with no disease, 37.5% with mild disease, and 37.5% with severe disease at 90 mg/kg/day.
Reduced mean maximal clinical score to 1.85 (p < 0.05 vs. vehicle), resulted in 12.5% of mice with no disease, 62.5% with mild disease, and 25% with severe disease, significantly reduced clinical score curves from day 11 (p < 0.01 vs. vehicle), and reduced inflammatory cell infiltration in lumbar spinal cord segments (p = 0.01 vs. vehicle) at 100 mg/kg/day.
Strongly reduced draining lymph node cell proliferation in response to MOG_35-55 peptide (p < 0.01 vs. vehicle) at 100 mg/kg/day.
Did not produce a significant effect on proliferation or clinical severity at 20 mg/kg/day.

Chemical Information

CAS. Nr. 79220-94-3
Appearance Solid
Molecular Weight 252.33
Formel C₁₅H₁₂N₂S
Color Off-white to light brown
SMILES

S=C1NC(C2=CC=CC=C2)=CN1C3=CC=CC=C3
Versand

Room temperature in continental US; may vary elsewhere.

Speicherung

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

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : 100 mg/mL (396.31 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

View the Complete Stock Solution Preparation Table

Preparing Stock Solutions

View the Complete Stock Solution Preparation Table

Concentration Solvent Mass

1 mg

5 mg

10 mg

Concentration

Solvent

Mass

1 mM

3.9631 mL

19.8153 mL

39.6306 mL

5 mM

0.7926 mL

3.9631 mL

7.9261 mL

10 mM

0.3963 mL

1.9815 mL

3.9631 mL

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.

Molaritätsrechner

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

Mass Mass

Konzentration Konzentration

Volumen Volumen

Molecular Weight Molecular Weight

Verdünnungsrechner

Konzentration _{(Stammlösung)} × Volumen _{(Stammlösung)} = Konzentration _{(Ziellösung)} × Volumen _{(Ziellösung)}

Konzentration _{(Stammlösung)} Konzentration _{(Stammlösung)}

Volumen _{(Stammlösung)} Volumen _{(Stammlösung)}

Konzentration _{(Ziellösung)} Konzentration _{(Ziellösung)}

Volumen _{(Ziellösung)} Volumen _{(Ziellösung)}

In Vivo:

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

Stock Solution Working Solution

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 (9.91 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.

Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)

Solubility: 2.5 mg/mL (9.91 mM); Suspended solution; Need ultrasonic

This protocol yields a suspended solution of 2.5 mg/mL. Suspended solution can be used for oral and intraperitoneal injection.

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.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage Dosage
mg/kg
Animal Weight (Per Animal) Animal Weight (Per Animal)
g
Dosing Volume (Per Animal) Dosing Volume (Per Animal)
μL
Number of Animals Number of Animals

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

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

Please enter your animal formula composition:

%
DMSO +

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
%
+
+
%
Tween-80 + +
%
Saline +

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).

Working solution concentration: 0.22 mg/mL

Reinheit & Dokumentation

Select Batch:

Reinheit: 99.98%

Assay: 99.98%

ee.: 99.98%

Data Sheet (281 KB)
SDS (393 KB)
- English - EN (393 KB)
- Français - FR (393 KB)
- Deutsch - DE (393 KB)
- Norwegian - NO (393 KB)
- Español - ES (393 KB)
- Swedish - SV (393 KB)
- Italian - IT (393 KB)
- Korean - KR (393 KB)
- Portuguese - PT (393 KB)
COA (2659 KB)
Elemental Analysis Report (2659 KB)
HNMR (2659 KB)
CNMR (2659 KB)
RP-HPLC (2659 KB)
NP-HPLC (2659 KB)
MS (2659 KB)
LCMS (2659 KB)
IR (2659 KB)
GC (2659 KB)
OR (2659 KB)
SDS-PAGE (2659 KB)
SEC-HPLC (2659 KB)
Other Report (2659 KB)
Handling Instructions (2659 KB)

Verweise

[1]. Jung EJ, et al. Oral administration of 1,4-aryl-2-mercaptoimidazole inhibits T-cell proliferation and reduces clinical severity in the murine experimental autoimmune encephalomyelitis model. The Journal of pharmacology and experimental therapeutics. 2009 Dec;331(3):1005-13. [Content Brief]

[2]. Yellol G S, et al. Microwave‐Enhanced Efficient Regioselective Synthesis of 1, 3, 4‐Trisubstituted 2‐Mercaptoimidazoles on a Soluble Support[J]. Advanced Synthesis & Catalysis, 2012, 354(1): 187-196.

Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

Complete Stock Solution Preparation Table

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.

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg
DMSO	1 mM	3.9631 mL	19.8153 mL	39.6306 mL	99.0766 mL
	5 mM	0.7926 mL	3.9631 mL	7.9261 mL	19.8153 mL
	10 mM	0.3963 mL	1.9815 mL	3.9631 mL	9.9077 mL
	15 mM	0.2642 mL	1.3210 mL	2.6420 mL	6.6051 mL
	20 mM	0.1982 mL	0.9908 mL	1.9815 mL	4.9538 mL
	25 mM	0.1585 mL	0.7926 mL	1.5852 mL	3.9631 mL
	30 mM	0.1321 mL	0.6605 mL	1.3210 mL	3.3026 mL
	40 mM	0.0991 mL	0.4954 mL	0.9908 mL	2.4769 mL
	50 mM	0.0793 mL	0.3963 mL	0.7926 mL	1.9815 mL
	60 mM	0.0661 mL	0.3303 mL	0.6605 mL	1.6513 mL
	80 mM	0.0495 mL	0.2477 mL	0.4954 mL	1.2385 mL
	100 mM	0.0396 mL	0.1982 mL	0.3963 mL	0.9908 mL

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KRM-III

Immunology/Inflammation Compound Library

NF-κB Signaling Compound Library

Orally Active Compound Library

Targeted Diversity Library

Extracellular Vesicles (EVs) Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

High-Throughput Bioactive Compound Library

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

KRM-III

Immunology/Inflammation Compound Library

NF-κB Signaling Compound Library

Orally Active Compound Library

Targeted Diversity Library

Extracellular Vesicles (EVs) Compound Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

High-Throughput Bioactive Compound Library

Biologische Aktivität

Chemical Information

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

KRM-III Related Classifications

HY-136427 Related Classifications