JBSNF-000028 free base

Name: JBSNF-000028 free base
Brand: MedChemExpress
SKU: HY-151500
Rating: 4.5 (1 reviews)

Cat. No.: HY-151500 Purity: 99.20%: FAQs
Data Sheet SDS COA Handling Instructions Technical Support

JBSNF-000028 is an orally active nicotinamide N-methyltransferase (NNMT) inhibitor with IC₅₀s of 0.033 μM, 0.19 μM and 0.21 μM against human NNMT (hNNMT), monkey NNMT (mkNNMT), and mouse NNMT (mNNMT), respectively. JBSNF-000028 can be used for the research of metabolic disorders.

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

JBSNF-000028 free base Chemical Structure

CAS No. : 3026599-90-3

Size	Stock	Quantity
5 mg	In-stock	Estimated Time of Arrival: December 31
10 mg	In-stock	Estimated Time of Arrival: December 31
50 mg	Get quote
100 mg	Get quote

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Customer Review

Based on 1 publication(s) in Google Scholar

Other Forms of JBSNF-000028 free base:

JBSNF-000028 TFA Get quote
JBSNF-000028 hydrochloride Get quote

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Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target

IC₅₀: 0.033 µM (hNNMT), 0.19 µM (mkNNMT), 0.21 µM (mNNMT)^[1]

In Vitro

JBSNF-000028 (24 h) inhibits NNMT activity with an EC₅₀ of 2.5 μM in U2OS cells^[1].
JBSNF-000028 (10-100 μM; 72 h) has no cytotoxicity against HepG2 cells^[1].
JBSNF-000028 binds below a hairpin structural motif at the nicotinamide pocket and stacks between Tyr-204 (from Hairpin) and Leu-164 (from central domain)^[1].
JBSNF-000028 is inactive against a broad panel of targets related to metabolism and safety^[1].

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

In Vivo

JBSNF-000028 (50 mg/kg; p.o.; twice daily for 27 days) improves glucose and lipid handling in mice with diet-induced obesity (DIO)^[1].
JBSNF-000028 (50 mg/kg; p.o.; twice daily for 4 weeks) improves glucose tolerance in NNMT knockout mice with diet-induced obesity^[1].

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

Animal Model:	Male C57BL6/N mice, diet induced obesity (DIO) model^[1]
Dosage:	50 mg/kg
Administration:	Oral administration, b.i.d for 27 days
Result:	Significantly reduced the body weight and fed blood glucose. Reduced 1-methyl-nicotinamide (MNA) levels in visceral WAT and liver. Led to a statistically significant reduction in plasma triglyceride, plasma LDL cholesterol, liver triglyceride and liver total cholesterol.

Animal Model:

Male C57BL6/N mice^[1]

Dosage:

1 mg/kg and 10 mg/kg

Administration:

Intravenous and oral administration (Pharmacokinetic Analysis)

Result:

Pharmacokinetic parameters of JBSNF-0000028 in mice following intravenous (1 mg/kg) and oral administration (10 mg/kg)^[1].

PK parameters	Intravenous	Oral
Dose (mg/kg)	1	10
AUC_0–t (ng h/mL)	446	1369
C₀/C_max (ng/mL)	432	452
T_max (h)	-	1.00
T_1/2 (h)	1.77	2.36
T_last (h)	8.00	10.0
Cl (mL/min/kg)	36.6	-
Vd (L/kg)	8.69	-
F (%)	-	30

Molecular Weight

187.24

Formula

C₁₁H₁₃N₃

CAS No.

3026599-90-3

Appearance

Solid

Color

Light yellow to yellow

SMILES

CN1CC2=C3C(CCN3C1=N)=CC=C2

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

4°C, protect from light

*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

Solvent & Solubility

In Vitro:

DMSO : 60 mg/mL (320.44 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	5.3407 mL	26.7037 mL	53.4074 mL
5 mM	1.0681 mL	5.3407 mL	10.6815 mL
10 mM	0.5341 mL	2.6704 mL	5.3407 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 (protect from light). When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

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 90% Corn Oil
Solubility: ≥ 3 mg/mL (16.02 mM); Clear solution

This protocol yields a clear solution of ≥ 3 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 (30.0 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).

*In solvent : -80°C, 6 months; -20°C, 1 month (protect from light)

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: 99.20%

Select Batch:

Data Sheet (279 KB) SDS (251 KB)

COA (251 KB) HNMR (243 KB) RP-HPLC (277 KB) LCMS (116 KB)

Handling Instructions (2659 KB)

References

[1]. Ruf S, et al. Novel tricyclic small molecule inhibitors of Nicotinamide N-methyltransferase for the treatment of metabolic disorders. Sci Rep. 2022 Sep 14;12(1):15440. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	5.3407 mL	26.7037 mL	53.4074 mL	133.5185 mL
	5 mM	1.0681 mL	5.3407 mL	10.6815 mL	26.7037 mL
	10 mM	0.5341 mL	2.6704 mL	5.3407 mL	13.3518 mL
	15 mM	0.3560 mL	1.7802 mL	3.5605 mL	8.9012 mL
	20 mM	0.2670 mL	1.3352 mL	2.6704 mL	6.6759 mL
	25 mM	0.2136 mL	1.0681 mL	2.1363 mL	5.3407 mL
	30 mM	0.1780 mL	0.8901 mL	1.7802 mL	4.4506 mL
	40 mM	0.1335 mL	0.6676 mL	1.3352 mL	3.3380 mL
	50 mM	0.1068 mL	0.5341 mL	1.0681 mL	2.6704 mL
	60 mM	0.0890 mL	0.4451 mL	0.8901 mL	2.2253 mL
	80 mM	0.0668 mL	0.3338 mL	0.6676 mL	1.6690 mL
	100 mM	0.0534 mL	0.2670 mL	0.5341 mL	1.3352 mL