JBSNF-000088
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MedKoo CAT#: 562248

CAS#: 7150-23-4

Description: JBSNF-000088 is an inhibitor of Nicotinamide N-methyltransferase (NNMT) for the treatment of metabolic disorders.


Chemical Structure

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JBSNF-000088
CAS# 7150-23-4

Theoretical Analysis

MedKoo Cat#: 562248
Name: JBSNF-000088
CAS#: 7150-23-4
Chemical Formula: C7H8N2O2
Exact Mass: 152.0586
Molecular Weight: 152.15
Elemental Analysis: C, 55.26; H, 5.30; N, 18.41; O, 21.03

Price and Availability

Size Price Availability Quantity
500.0mg USD 150.0 Same day
1.0g USD 250.0 Same day
2.0g USD 450.0 Same day
5.0g USD 950.0 Same day
10.0g USD 1710.0 Same day
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Synonym: JBSNF-000088; JBSNF 000088; JBSNF000088

IUPAC/Chemical Name: 6-Methoxynicotinamide

InChi Key: KXDSMFBEVSJYRF-UHFFFAOYSA-N

InChi Code: InChI=1S/C7H8N2O2/c1-11-6-3-2-5(4-9-6)7(8)10/h2-4H,1H3,(H2,8,10)

SMILES Code: O=C(N)C1=CN=C(OC)C=C1

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

Biological target: JBSNF-000088 is a potent Nicotinamide N-methyltransferase (NNMT) inhibitor with IC50s of 1.8 µM, 2.8 µM, and 5.0 µM for human NNMT, monkey NNMT and mouse NNMT, respectively.
In vitro activity: The concentration-dependent inhibitory effect of JBSNF-000088 on NNMT enzymatic activity was tested using a fluorescence based biochemical assay. JBSNF-000088 inhibited human NNMT (hNNMT), monkey NNMT (mkNNMT), and mouse NNMT (mNNMT) enzymatic activities with IC50 values of 1.8, 2.8, and 5.0 µM, respectively (Fig 1A–C). The activity of JBSNF-000088 against hNNMT was also confirmed by an alternative LCMS/MS detection method with an IC50 of 2.4 µM (Fig. 1D). To investigate the inhibitory effect of JBSNF-000088 on endogenous NNMT activity in cells, U2OS or differentiated 3T3L1 cells were treated with JBSNF-000088 for 24 h, and the levels of MNA were assessed by LC-MS/MS. The calculated IC50 values are 1.6 and 6.3 µM, respectively (Fig. 1E-F). The approximately 4-fold right shift in potency observed with the compound tested in 3T3L1 cells as compared to U2OS cells may reflect the higher potency on the human enzyme compared to the mouse enzyme as U2OS is a human cell line whereas 3T3-L1 cells are of murine origin. Cytotoxicity of JBSNF-000088 was investigated in HepG2 cells. The cells were incubated with JBSNF-000088 at 10, 30 and 100 µM concentrations for 72 h and cytotoxicity was measured using the CellTiter-Glo assay kit. JBSNF-000088 did not show any toxicity at the tested concentrations. Reference: Sci Rep. 2018 Feb 26;8(1):3660. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5826917/
In vivo activity: JBSNF-000088 was investigated in chronic efficacy studies using diet induced obesity (DIO), ob/ob and db/db mouse models. The compound was tested at 50 mg kg−1, b.i.d, via oral route of administration. Throughout the treatment period, the JBSNF-000088 group showed statistically significant reduction in body weight (%) as compared to the vehicle treated group (Fig. 4A). The cumulative food intake was comparable between the JBSNF-000088 treatment group and the vehicle treated group (Fig. 4A). JBSNF-000088 treatment led to a statistically significant reduction in fed blood glucose on day 21 (p < 0.01) compared to vehicle control (Fig. 4B). Further, the treatment group also showed a trend to a reduction in fed plasma insulin that was statistically significant on day 14 (p < 0.01) compared to the control (Fig. 4B). Reference: Sci Rep. 2018 Feb 26;8(1):3660. https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5826917/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 45.0 295.76
Water 1.5 9.86
Ethanol 3.5 23.0
DMF 5.0 32.86
DMSO:PBS (pH 7.2) (1:5) 0.16 1.05

Preparing Stock Solutions

The following data is based on the product molecular weight 152.15 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: 1. Kannt A, Rajagopal S, Kadnur SV, Suresh J, Bhamidipati RK, Swaminathan S, Hallur MS, Kristam R, Elvert R, Czech J, Pfenninger A, Rudolph C, Schreuder H, Chandrasekar DV, Mane VS, Birudukota S, Shaik S, Zope BR, Burri RR, Anand NN, Thakur MK, Singh M, Parveen R, Kandan S, Mullangi R, Yura T, Gosu R, Ruf S, Dhakshinamoorthy S. A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders. Sci Rep. 2018 Feb 26;8(1):3660. doi: 10.1038/s41598-018-22081-7. PMID: 29483571; PMCID: PMC5826917.
In vitro protocol: 1. Kannt A, Rajagopal S, Kadnur SV, Suresh J, Bhamidipati RK, Swaminathan S, Hallur MS, Kristam R, Elvert R, Czech J, Pfenninger A, Rudolph C, Schreuder H, Chandrasekar DV, Mane VS, Birudukota S, Shaik S, Zope BR, Burri RR, Anand NN, Thakur MK, Singh M, Parveen R, Kandan S, Mullangi R, Yura T, Gosu R, Ruf S, Dhakshinamoorthy S. A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders. Sci Rep. 2018 Feb 26;8(1):3660. doi: 10.1038/s41598-018-22081-7. PMID: 29483571; PMCID: PMC5826917.
In vivo protocol: 1. Kannt A, Rajagopal S, Kadnur SV, Suresh J, Bhamidipati RK, Swaminathan S, Hallur MS, Kristam R, Elvert R, Czech J, Pfenninger A, Rudolph C, Schreuder H, Chandrasekar DV, Mane VS, Birudukota S, Shaik S, Zope BR, Burri RR, Anand NN, Thakur MK, Singh M, Parveen R, Kandan S, Mullangi R, Yura T, Gosu R, Ruf S, Dhakshinamoorthy S. A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders. Sci Rep. 2018 Feb 26;8(1):3660. doi: 10.1038/s41598-018-22081-7. PMID: 29483571; PMCID: PMC5826917.

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1: Kannt A, Rajagopal S, Kadnur SV, Suresh J, Bhamidipati RK, Swaminathan S, Hallur MS, Kristam R, Elvert R, Czech J, Pfenninger A, Rudolph C, Schreuder H, Chandrasekar DV, Mane VS, Birudukota S, Shaik S, Zope BR, Burri RR, Anand NN, Thakur MK, Singh M, Parveen R, Kandan S, Mullangi R, Yura T, Gosu R, Ruf S, Dhakshinamoorthy S. A small molecule inhibitor of Nicotinamide N-methyltransferase for the treatment of metabolic disorders. Sci Rep. 2018 Feb 26;8(1):3660. doi: 10.1038/s41598-018-22081-7. PubMed PMID: 29483571; PubMed Central PMCID: PMC5826917.