Art. -Nr.: HY-12439

ML380

Name: ML380
Brand: MedChemExpress
SKU: HY-12439
Price: 85.00 USD
Availability: InStock
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ML380 is a potent, subtype-selective, and brain-penetrant positive allosteric modulator (PAM) of M5 mAChR, with EC₅₀s of 190 and 610 nM for human and rat M5, respectively. ML380 exhibits moderate selectivity versus the M1 and M3 mAChR subtypes. ML380 could increase the affinity of ACh for the M5 mAChR.

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Reinheit: 99.87%
CAS. Nr.: 1627138-52-6
Formel: C₂₃H₂₅F₃N₄O₃S
Molecular Weight:494.53

Speicherung:

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

ML380 Chemical Structure

CAS. Nr.: 1627138-52-6

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Top Publications Citing

Use of MCE Products

Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

HY-12158

VU0238441

Biologische Aktivität
- Beschreibung
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Publications (1)
Lösungsmittel & Löslichkeit
- In Vitro
- In Vivo
Reinheit & Dokumentation
Verweise
Help & FAQs
Classifications
Bioz

Biologische Aktivität

Beschreibung

IC₅₀ & Target

IC50: 190 nM (hM5), 610 nM (rM5)^[1]

Alle mAChR Isoform-spezifische Produkte anzeigen :

Cellular Effect

Cell Line	Type	Value	Description	References
CHO	EC₅₀	>30 μM Compound: 8n	Activity at human muscarinic acetylcholine receptor subtype 2 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay Activity at human muscarinic acetylcholine receptor subtype 2 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay	[PMID: 25147929]
CHO	EC₅₀	>30 μM Compound: 8n	Activity at human muscarinic acetylcholine receptor subtype 4 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay Activity at human muscarinic acetylcholine receptor subtype 4 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay	[PMID: 25147929]
CHO	EC₅₀	>30 μM Compound: 8n	Activity at rat muscarinic acetylcholine receptor subtype 2 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay Activity at rat muscarinic acetylcholine receptor subtype 2 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay	[PMID: 25147929]
CHO	EC₅₀	>30 μM Compound: 8n	Activity at rat muscarinic acetylcholine receptor subtype 4 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay Activity at rat muscarinic acetylcholine receptor subtype 4 expressed in CHO cells co-transfected with chimeric Gqi5 by calcium mobilization assay	[PMID: 25147929]
CHO	EC₅₀	0.19 μM Compound: 8n	Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay Positive allosteric modulator activity at human muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay	[PMID: 25147929]
CHO	EC₅₀	0.61 μM Compound: 8n	Activity at rat muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay Activity at rat muscarinic acetylcholine receptor subtype 5 expressed in CHO cells by calcium mobilization assay	[PMID: 25147929]
CHO	EC₅₀	2 μM Compound: 8n	Activity at rat muscarinic acetylcholine receptor subtype 1 expressed in CHO cells by calcium mobilization assay Activity at rat muscarinic acetylcholine receptor subtype 1 expressed in CHO cells by calcium mobilization assay	[PMID: 25147929]
CHO	EC₅₀	2.1 μM Compound: 8n	Activity at human muscarinic acetylcholine receptor subtype 3 expressed in CHO cells by calcium mobilization assay Activity at human muscarinic acetylcholine receptor subtype 3 expressed in CHO cells by calcium mobilization assay	[PMID: 25147929]
CHO	EC₅₀	3.1 μM Compound: 8n	Activity at rat muscarinic acetylcholine receptor subtype 3 expressed in CHO cells by calcium mobilization assay Activity at rat muscarinic acetylcholine receptor subtype 3 expressed in CHO cells by calcium mobilization assay	[PMID: 25147929]
CHO	EC₅₀	5.4 μM Compound: 8n	Activity at human muscarinic acetylcholine receptor subtype 1 expressed in CHO cells by calcium mobilization assay Activity at human muscarinic acetylcholine receptor subtype 1 expressed in CHO cells by calcium mobilization assay	[PMID: 25147929]

In Vitro

ML380 (0.01 nM-100 μM) robustly stimulates inositol phosphate (IP) accumulation and Ca²⁺ mobilization in CHO-hM₅ cells, with pEC₅₀s of 5.33 and 5.71, respectively^[2].
ML380 (0.01-30 μM) increases the ACh-stimulated IP accumulation and Ca²⁺ mobilization in CHO-hM₅ cells^[2].

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

In Vivo

ML380 (1 mg/kg; i.v.) displays high clearance (66 mL/min/kg), a moderate volume of distribution (1.6 L/kg), and a short half-life (t_1/2, 22 min) in rats^[1].

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

Chemical Information

CAS. Nr. 1627138-52-6
Appearance Solid
Molecular Weight 494.53
Formel C₂₃H₂₅F₃N₄O₃S
Color White to off-white
SMILES

O=C(C1CCN(S(=O)(C2=CC3=C(NN=C3)C=C2)=O)CC1)N(CC)CC4=CC=CC=C4C(F)(F)F
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

Publications (1)

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Journal Impact Factor

Mol Oncol

Repositioning VU-0365114 as a novel microtubule-destabilizing agent for treating cancer and overcoming drug resistance. [Abstract]

2024 Feb;18(2):386-414. PMID: 37842807

Lösungsmittel & Löslichkeit

In Vitro:

DMSO : 100 mg/mL (202.21 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

2.0221 mL

10.1106 mL

20.2212 mL

5 mM

0.4044 mL

2.0221 mL

4.0442 mL

10 mM

0.2022 mL

1.0111 mL

2.0221 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 (5.06 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 (5.06 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.

Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil

Solubility: ≥ 2.5 mg/mL (5.06 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.

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 (274 KB)
SDS (251 KB)
- English - EN (251 KB)
- Français - FR (251 KB)
- Deutsch - DE (251 KB)
- Norwegian - NO (251 KB)
- Español - ES (251 KB)
- Swedish - SV (251 KB)
- Italian - IT (251 KB)
- Korean - KR (251 KB)
- Portuguese - PT (251 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]. Gentry PR, et, al. Development of a highly potent, novel M5 positive allosteric modulator (PAM) demonstrating CNS exposure: 1-((1H-indazol-5-yl)sulfoneyl)-N-ethyl-N-(2-(trifluoromethyl)benzyl)piperidine-4-carboxamide (ML380). J Med Chem. 2014 Sep 25;57(18 [Content Brief]

[2]. Berizzi AE, et, al. Molecular Mechanisms of Action of M5 Muscarinic Acetylcholine Receptor Allosteric Modulators. Mol Pharmacol. 2016 Oct;90(4):427-36. [Content Brief]

[3]. Berizzi AE, et, al. Structure-Activity Relationships of Pan-Gα q/11 Coupled Muscarinic Acetylcholine Receptor Positive Allosteric Modulators. ACS Chem Neurosci. 2018 Jul 18;9(7):1818-1828. [Content Brief]

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	2.0221 mL	10.1106 mL	20.2212 mL	50.5531 mL
	5 mM	0.4044 mL	2.0221 mL	4.0442 mL	10.1106 mL
	10 mM	0.2022 mL	1.0111 mL	2.0221 mL	5.0553 mL
	15 mM	0.1348 mL	0.6740 mL	1.3481 mL	3.3702 mL
	20 mM	0.1011 mL	0.5055 mL	1.0111 mL	2.5277 mL
	25 mM	0.0809 mL	0.4044 mL	0.8088 mL	2.0221 mL
	30 mM	0.0674 mL	0.3370 mL	0.6740 mL	1.6851 mL
	40 mM	0.0506 mL	0.2528 mL	0.5055 mL	1.2638 mL
	50 mM	0.0404 mL	0.2022 mL	0.4044 mL	1.0111 mL
	60 mM	0.0337 mL	0.1685 mL	0.3370 mL	0.8426 mL
	80 mM	0.0253 mL	0.1264 mL	0.2528 mL	0.6319 mL
	100 mM	0.0202 mL	0.1011 mL	0.2022 mL	0.5055 mL

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ML380

VU0238441

Publications Citing Use of MedChemExpress (MCE) ML380

Alle mAChR Isoform-spezifische Produkte anzeigen

Biologische Aktivität

Chemical Information

Publications (1)

Lösungsmittel & Löslichkeit

Reinheit & Dokumentation

Verweise

Help & FAQs

Complete Stock Solution Preparation Table

ML380 Related Classifications

HY-12439 Related Classifications

Bioz