2928480-72-0
Chemical Structure
II399
- CAS No.: 2928480-72-0
- Formula:C24H24ClN5O4
- Molecular Weight:481.93
InChIKey: AHVJTPYPUIHNLS-WLRLJWMZSA-N
SMILES: O[C@H]1[C@@H](C[C@@H]([C@H]1O)CN(C(C)=O)CC#CC2=CC(C(N)=O)=CC=C2)N3C4=NC=NC(Cl)=C4C=C3
Biological Activity: II399 is a nicotinamide N-methyltransferase (NNMT) inhibitor (human NNMT IC50 = 0.049-8.800 μM; Ki = 5.9-77 nM; Kd = 336 nM). II399 competitively blocks the transfer of methyl from SAM to nicotinamide by occupying the Nicotinamide (HY-B0150) and SAM binding pockets, and inhibits NNMT-mediated shunting of nicotinamide from the NAD+ salvage pathway. II399 reduces cellular MNA, inhibits renal cancer cell viability, and in combination with SHMT2/MEPCE inhibits lipotoxicity and Cholesterol (from animal) (HY-N0322)-induced hepatocyte injury. II399 can be used for research on clear cell renal cell carcinoma and cholesterol-induced hepatotoxicity[1][2][3][4][5].
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II399 | II399 is a nicotinamide N-methyltransferase (NNMT) inhibitor (human NNMT IC50 = 0.049-8.800 μM; Ki = 5.9-77 nM; Kd = 336 nM). II399 competitively blocks the transfer of methyl from SAM to nicotinamide by occupying the Nicotinamide (HY-B0150) and SAM binding pockets, and inhibits NNMT-mediated shunting of nicotinamide from the NAD+ salvage pathway. II399 reduces cellular MNA, inhibits renal cancer cell viability, and in combination with SHMT2/MEPCE inhibits lipotoxicity and Cholesterol (from animal) (HY-N0322)-induced hepatocyte injury. II399 can be used for research on clear cell renal cell carcinoma and cholesterol-induced hepatotoxicity. | |||||||||||||||||||||
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References
- [1]. Iyamu ID, et al. Structure-Activity Relationship Studies on Cell-Potent Nicotinamide -Methyltransferase Bisubstrate Inhibitors. Journal of medicinal chemistry. 2023 Aug 10;66(15):10510-10527. [Content Brief]
- [2]. Meng Y, et al. Comparative Analysis of Two NNMT Bisubstrate Inhibitors through Chemoproteomic Studies: Uncovering the Role of Unconventional SAM Analogue Moiety for Improved Selectivity. ACS chemical biology. 2024 Jan 19;19(1):89-100. [Content Brief]
- [3]. Song Q, et al. Nicotinamide N-methyltransferase upregulation contributes to palmitate-elicited peroxisome proliferator-activated receptor transactivation in hepatocytes. American journal of physiology. Cell physiology. 2023 Jul 01;325(1):C29-C41. [Content Brief]
- [4]. Guo R, et al. Chicago, IL, July 5, 2026 To: Biochemical Pharmacology Editorial Office Pharmacological Restoration of NAD+ Homeostasis Protects against Cholesterol-Induced Hepatotoxicity by Reactivating the PARP1-AMPK Axis. Available at SSRN 7100187.
- [5]. Iyamu ID, et al. Exploring Unconventional SAM Analogues To Build Cell-Potent Bisubstrate Inhibitors for Nicotinamide N-Methyltransferase. Angewandte Chemie (International ed. in English). 2022 Apr 11;61(16):e202114813. [Content Brief]
