Cat. No.: HY-141669

BCAT-IN-2

6 Cited Publications

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Based on 6 publication(s) in Google Scholar

BCAT-IN-2 is a potent, selective and orally active inhibitor of mitochondrial branched-chain aminotransferase (BCATm), with a pIC₅₀ of 7.3. BCAT-IN-2 shows selectivity for BCATm over BCATc (pIC₅₀=6.6). BCAT-IN-2 can be used for the research of obesity and dislipidema.

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Pureté: 99.07%
CAS No.: 1800024-45-6
Formule: C₁₇H₁₄ClF₂N₅O
Masse moléculaire:377.78

Stockage:

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

BCAT-IN-2 Chemical Structure

CAS No.: 1800024-45-6

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Activité biologique
- Description
- IC₅₀ & Target
- Cellular Effect
- In Vitro
- In Vivo
Chemical Information
Publications (6)
Solvant et solubilité
- In Vitro
- In Vivo
Pureté et documentation
Références
Help & FAQs
Bioz

Activité biologique

Description

IC₅₀ & Target

pIC50: 7.3 (BCATm), 6.6 (BCATc)^[1]

Voir tous les produits spécifiques à Isoform Aminotransferases (Transaminases) :

Cellular Effect

Cell Line	Type	Value	Description	References
MDA-MB-231	IC₅₀	564 μM Compound: Cpd A	Upregulation of BCAA expression in human MDA-MB-231 cells Upregulation of BCAA expression in human MDA-MB-231 cells	[PMID: 36261130]
U-87MG ATCC	IC₅₀	5.3 μM Compound: Cpd A	Upregulation of BCAA expression in human U-87 MG cells Upregulation of BCAA expression in human U-87 MG cells	[PMID: 36261130]

In Vitro

BCAT-IN-2 (compound 61) inhibits BCATm in differentiated primary human adipocyte, with pIC50 of 6.5^[1].

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

In Vivo

BCAT-IN-2 (compound 61) (10-100 mg/kg; p.o.) increases the level of leucine from 473 μM to 1.2 mM at the dose of 100 mg/kg in mice^[1].
BCAT-IN-2 (5 mg/kg for p.o. and 1 mg/kg for i.v.) exhibits a high bioavailability (F=100%), long half-life (t_1/2=9.2 h) and low clearance (Cl=0.3 mL/min/kg) in mice^[1].

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

Chemical Information

CAS No. 1800024-45-6
Appearance Solid
Masse moléculaire 377.78
Formule C₁₇H₁₄ClF₂N₅O
Color White to yellow
SMILES

N#CC1=C2NC(CCC)=CC(N2N=C1NCC3=C(F)C=C(Cl)C=C3F)=O
Livraison

Room temperature in continental US; may vary elsewhere.

Stockage

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

Publications (6)

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Cell Metab

16-h fasting optimizes cancer immunotherapy in mice and humans. [Abstract]

2026 May 5;38(5):944-962.e14. PMID: 41720105
Sci Adv

HDAC7 promotes renal cancer progression by reprogramming branched-chain amino acid metabolism. [Abstract]

2025 Jun 6;11(23):eadt3552. PMID: 40465706
Cell Death Dis

BCAT2 binding to PCBP1 regulates the PI3K/AKT signaling pathway to inhibit autophagy-related apoptosis and ferroptosis in prostate cancer. [Abstract]

2025 Apr 24;16(1):337. PMID: 40274762
Sci Total Environ

Interior decorative volatile organic compounds exposure induces sleep disorders through aberrant branched chain amino acid transaminase 2 mediated glutamatergic signaling resulting from a neuroinflammatory cascade. [Abstract]

2024 May 16:173254. PMID: 38761924
Br J Cancer

Blocking mitochondrial leucine transamination enhances T-cell activation and improves T-cell immunity against OVA-producing EL4 lymphoma. [Abstract]

2026 May 5. PMID: 42086670
Biochim Biophys Acta Mol Basis Dis

Deficiency of BCAT2-mediated branched-chain amino acid catabolism promotes colorectal cancer development. [Abstract]

2023 Nov 4;1870(2):166941. PMID: 37926361

Solvant et solubilité

In Vitro:

DMSO : 50 mg/mL (132.35 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

2.6470 mL

13.2352 mL

26.4704 mL

5 mM

0.5294 mL

2.6470 mL

5.2941 mL

10 mM

0.2647 mL

1.3235 mL

2.6470 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.

Calculateur de molarité

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

Mass Mass

Concentration Concentration

Volume Volume

Molecular Weight Molecular Weight

Calculateur de dilution

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

Concentration _(start) Concentration _(start)

Volume _(start) Volume _(start)

Concentration _(final) Concentration _(final)

Volume _(final) Volume _(final)

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 90% Corn Oil

Solubility: ≥ 2.5 mg/mL (6.62 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

Pureté et documentation

Select Batch:

Pureté: 99.98%

Assay: 99.98%

ee.: 99.98%

Fiche technique (273 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)
- 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)
Instruction de manipulation (2659 KB)

Références

[1]. Bertrand SM, et, al. The Discovery of in Vivo Active Mitochondrial Branched-Chain Aminotransferase (BCATm) Inhibitors by Hybridizing Fragment and HTS Hits. J Med Chem. 2015 Sep 24;58(18):7140-63. [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	2.6470 mL	13.2352 mL	26.4704 mL	66.1761 mL
	5 mM	0.5294 mL	2.6470 mL	5.2941 mL	13.2352 mL
	10 mM	0.2647 mL	1.3235 mL	2.6470 mL	6.6176 mL
	15 mM	0.1765 mL	0.8823 mL	1.7647 mL	4.4117 mL
	20 mM	0.1324 mL	0.6618 mL	1.3235 mL	3.3088 mL
	25 mM	0.1059 mL	0.5294 mL	1.0588 mL	2.6470 mL
	30 mM	0.0882 mL	0.4412 mL	0.8823 mL	2.2059 mL
	40 mM	0.0662 mL	0.3309 mL	0.6618 mL	1.6544 mL
	50 mM	0.0529 mL	0.2647 mL	0.5294 mL	1.3235 mL
	60 mM	0.0441 mL	0.2206 mL	0.4412 mL	1.1029 mL
	80 mM	0.0331 mL	0.1654 mL	0.3309 mL	0.8272 mL
	100 mM	0.0265 mL	0.1324 mL	0.2647 mL	0.6618 mL

Keywords

BCAT-IN-2

6 Cited Publications

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BCAT-IN-2

Metabolism/Protease Compound Library

Orally Active Compound Library

Heterocyclic Compound Library

Highly Selective Inhibitors Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

High-Throughput Bioactive Compound Library

Publications Citing Use of MedChemExpress (MCE) BCAT-IN-2

Voir tous les produits spécifiques à Isoform Aminotransferases (Transaminases)

Activité biologique

Chemical Information

Publications (6)

Solvant et solubilité

Pureté et documentation

Références

Help & FAQs

Complete Stock Solution Preparation Table

BCAT-IN-2

Metabolism/Protease Compound Library

Orally Active Compound Library

Heterocyclic Compound Library

Highly Selective Inhibitors Library

Bioactive Compound Library Max

MCE Bioactive Compound Library

Bioactive Compound Library

High-Throughput Bioactive Compound Library

Publications Citing Use of MedChemExpress (MCE) BCAT-IN-2

Voir tous les produits spécifiques à Isoform Aminotransferases (Transaminases)

Activité biologique

Chemical Information

Publications (6)

Solvant et solubilité

Pureté et documentation

Références

Help & FAQs

Complete Stock Solution Preparation Table

BCAT-IN-2 Related Classifications

Cat. No.: HY-141669