ML-323USP1-UAF1 inhibitor CAS# 1572414-83-5 |
Quality Control & MSDS
Number of papers citing our products
Chemical structure
3D structure
Cas No. | 1572414-83-5 | SDF | Download SDF |
PubChem ID | 60167849 | Appearance | Powder |
Formula | C23H24N6 | M.Wt | 384.48 |
Type of Compound | N/A | Storage | Desiccate at -20°C |
Solubility | DMSO : ≥ 49 mg/mL (127.44 mM) *"≥" means soluble, but saturation unknown. | ||
Chemical Name | 5-methyl-2-(2-propan-2-ylphenyl)-N-[[4-(triazol-1-yl)phenyl]methyl]pyrimidin-4-amine | ||
SMILES | CC1=CN=C(N=C1NCC2=CC=C(C=C2)N3C=CN=N3)C4=CC=CC=C4C(C)C | ||
Standard InChIKey | VUIRVWPJNKZOSS-UHFFFAOYSA-N | ||
Standard InChI | InChI=1S/C23H24N6/c1-16(2)20-6-4-5-7-21(20)23-24-14-17(3)22(27-23)25-15-18-8-10-19(11-9-18)29-13-12-26-28-29/h4-14,16H,15H2,1-3H3,(H,24,25,27) | ||
General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. We recommend that you prepare and use the solution on the same day. However, if the test schedule requires, the stock solutions can be prepared in advance, and the stock solution must be sealed and stored below -20℃. In general, the stock solution can be kept for several months. Before use, we recommend that you leave the vial at room temperature for at least an hour before opening it. |
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About Packaging | 1. The packaging of the product may be reversed during transportation, cause the high purity compounds to adhere to the neck or cap of the vial.Take the vail out of its packaging and shake gently until the compounds fall to the bottom of the vial. 2. For liquid products, please centrifuge at 500xg to gather the liquid to the bottom of the vial. 3. Try to avoid loss or contamination during the experiment. |
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Shipping Condition | Packaging according to customer requirements(5mg, 10mg, 20mg and more). Ship via FedEx, DHL, UPS, EMS or other couriers with RT, or blue ice upon request. |
Description | ML323 is a highly potent and selective inhibitor of USP1-UAF1 with IC50 value of 76 nM. | |||||
Targets | USP1-UAF1 | |||||
IC50 | 76 nM |
ML-323 Dilution Calculator
ML-323 Molarity Calculator
1 mg | 5 mg | 10 mg | 20 mg | 25 mg | |
1 mM | 2.6009 mL | 13.0046 mL | 26.0092 mL | 52.0183 mL | 65.0229 mL |
5 mM | 0.5202 mL | 2.6009 mL | 5.2018 mL | 10.4037 mL | 13.0046 mL |
10 mM | 0.2601 mL | 1.3005 mL | 2.6009 mL | 5.2018 mL | 6.5023 mL |
50 mM | 0.052 mL | 0.2601 mL | 0.5202 mL | 1.0404 mL | 1.3005 mL |
100 mM | 0.026 mL | 0.13 mL | 0.2601 mL | 0.5202 mL | 0.6502 mL |
* Note: If you are in the process of experiment, it's necessary to make the dilution ratios of the samples. The dilution data above is only for reference. Normally, it's can get a better solubility within lower of Concentrations. |
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IC50: ML-323 is a highly potent and selective inhibitor of USP1-UAF1 with IC50 value of 76 nM.
ML-323 is an inhibitor of USP1-UAF1 with remarkable selectivity and relatively low cytotoxicity to the human cells. [1] USP1-UAF1 is closely linked to the DNA damage response and is recently suggested as a strategy for overcoming drug resistance during antitumor therapy. [1]
In vitro: Studies in H596 cells showed that ML-323 blocked the deubiquitination of PCNA and FANCD2 via suppressing USP1–UAF1 activity. It was reported that ML-323 potently inhibited USP1-UAF1 with IC50 values of 76 nM and 174 nM in ubiquitin-rhodamine (Ub-Rho) assay and orthogonal gel-based assay, respectively. In addition, by targeting TLS and FA, two major DNA damage response pathways, ML-323 increased cisplatin cytotoxicity both in NSCLC H596 cells and U2OS osteosarcoma cells. Moreover, this agent exhibited a high selectivity to human DUBs, deSUMOylase, deneddylase and unrelated proteases. [1]
In vivo: So far, no in vivo study has been conducted.
Clinical trial: So far, no clinical trial has been conducted.
Reference:
[1]Liang Q, Dexheimer TS, Zhang P, Rosenthal AS, Villamil MA, You C, Zhang Q, Chen J, Ott CA, Sun H, Luci DK, Yuan B, Simeonov A, Jadhav A, Xiao H, Wang Y, Maloney DJ and Zhuang Z. A selective USP1-UAF1 inhibitor links deubiquitination to DNA damage responses. Nat Chem Biol. 2014 April; 10(4): 298–304.
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