NNMT-IN-4

Name: NNMT-IN-4
Brand: MedChemExpress
SKU: HY-151813
Rating: 4.5 (1 reviews)

Cat. No.: HY-151813 Purity: 99.35%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

NNMT-IN-4 (compound 38) is a selective, uncompetitive and membrane permeability nicotinamide N-methyltransferase (NNMT) inhibitor with IC₅₀ values of 42 and 38 nM in vitro biochemical and cell-based assays, respectively. NNMT-IN-4 shows favorable PK/PD and safety profiles as well as excellent oral bioavailability and pharmaceutical properties. NNMT-IN-4 can be used as a vivo chemical probe of NNMT.

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

NNMT-IN-4 Chemical Structure

CAS No. : 2947393-64-6

Size	Price	Stock	Quantity
5 mg	USD 720	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 1150	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 2300	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 3680	In-stock	Estimated Time of Arrival: December 31
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Based on 1 publication(s) in Google Scholar

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Description

IC₅₀ & Target

IC50: 38 nM (NNMT, in K562 cells), 42 nM (promega MTase-Glo methyltransferase assay)^[1]

In Vitro

NNMT-IN-4 (5 nM-0.5 mM; 24 h) shows inhibitory effect to NNMT with an IC₅₀ value of 38 nM in K562 cells^[1].
NNMT-IN-4 (5 nM-0.5 mM; 24 h) shows inhibitory effect to NNMT with an IC₅₀ value of 42 nM in promega MTase-Glo methyltransferase assay^[1].

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

In Vivo

1.19 Pharmacokinetic Properties of NNMT-IN-4 in Mice^[1].

	Mice PO 50 mg/kg
T_1/2 (h)	2.89
T_max (h)	0.250
C_max (ng/mL)	22500
AUC_last (ng*h/mL)	51115
CI (1 mg/kg IV) (mL/min/kg)	36.1
F (%)	220

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

Molecular Weight

177.20

Formula

C₉H₁₁N₃O

CAS No.

2947393-64-6

Appearance

Solid

Color

White to off-white

SMILES

C[C@@H]1CC2=C(N1)N=CC(C(N)=O)=C2

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 (564.33 mM; ultrasonic and warming and heat to 60°C; 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	5.6433 mL	28.2167 mL	56.4334 mL
5 mM	1.1287 mL	5.6433 mL	11.2867 mL
10 mM	0.5643 mL	2.8217 mL	5.6433 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.

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 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 5 mg/mL (28.22 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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: ≥ 5 mg/mL (28.22 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 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: ≥ 5 mg/mL (28.22 mM); Clear solution

This protocol yields a clear solution of ≥ 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 (50.0 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: 99.35%

Select Batch:

Data Sheet (271 KB) SDS (251 KB)

COA (246 KB) HNMR (141 KB) RP-HPLC (173 KB) LCMS (387 KB)

Handling Instructions (2659 KB)

References

[1]. Barrows RD, et al. Potent Uncompetitive Inhibitors of Nicotinamide N-Methyltransferase (NNMT) as In Vivo Chemical Probes. J Med Chem. 2022 Nov 10;65(21):14642-14654. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	5.6433 mL	28.2167 mL	56.4334 mL	141.0835 mL
	5 mM	1.1287 mL	5.6433 mL	11.2867 mL	28.2167 mL
	10 mM	0.5643 mL	2.8217 mL	5.6433 mL	14.1084 mL
	15 mM	0.3762 mL	1.8811 mL	3.7622 mL	9.4056 mL
	20 mM	0.2822 mL	1.4108 mL	2.8217 mL	7.0542 mL
	25 mM	0.2257 mL	1.1287 mL	2.2573 mL	5.6433 mL
	30 mM	0.1881 mL	0.9406 mL	1.8811 mL	4.7028 mL
	40 mM	0.1411 mL	0.7054 mL	1.4108 mL	3.5271 mL
	50 mM	0.1129 mL	0.5643 mL	1.1287 mL	2.8217 mL
	60 mM	0.0941 mL	0.4703 mL	0.9406 mL	2.3514 mL
	80 mM	0.0705 mL	0.3527 mL	0.7054 mL	1.7635 mL
	100 mM	0.0564 mL	0.2822 mL	0.5643 mL	1.4108 mL

NNMT-IN-4 Related Classifications

Help & FAQs

Do most proteins show cross-species activity?
Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

NNMT-IN-42947393-64-6Othersazaindoline carboxamideselectiveuncompetitivemembrane permeabilitychemical probeK562Inhibitorinhibitorinhibit

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NNMT-IN-4

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NNMT-IN-4 Related Antibodies

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NNMT-IN-4 Related Antibodies

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Complete Stock Solution Preparation Table

NNMT-IN-4 Related Classifications

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