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5mg |
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10mg |
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25mg |
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50mg |
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100mg |
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250mg |
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Other Sizes |
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Purity: ≥98%
NCT-503 is an inhibitor of 3-phosphoglycerate dehydrogenase (PHGDH), inhibiting serine synthesis from 3-phosphoglycerate in cells with an IC50 of 2.5 µM.
ln Vitro |
NCT-503, a PHGDH dye, prevents cells from synthesizing 3-phosphoglycerate in a serine manner (IC50=2.5 μM). NCT-503 exhibited negligible cross-reactivity among a panel of 168 GPCRs and was inactive against a panel of other dehydrogenases. A non-competitive mechanism of 3-phosphoglycerate (3-PG) and NAD+ co-substrate inhibition was found in NCT-503 competition assays. NCT-503 has an EC50 of 8–16 μM against PHGDH-supporting cell lines, an EC50 of 6–10 times higher against MDA-MB-231 cells, and no toxicity toward other PHGDH non-supporting cell lines [1].
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ln Vivo |
NCT-503 possesses favorable qualities for metabolism, excretion, folding, and absorption (ADME). Following intraperitoneal spice administration, NCT-503 exhibits considerable distribution, good absorption, a half-life of 2.5 hours, and a Cmax of 20 μM in the belly. The growth and weight of PHGDH-dependent MDA-MB-468 xenografts are reduced by NCT-503 therapy, whereas the growth and weight of PHGDH-independent MDA-MB-231 xenografts are unaffected [1].
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References |
[1]. Pacold ME, et al. A PHGDH inhibitor reveals coordination of serine synthesis and one-carbon unit fate. Nat Chem Biol. 2016 Jun;12(6):452-8
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Molecular Formula |
C20H23F3N4S
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Molecular Weight |
408.4872
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Exact Mass |
408.1596
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CAS # |
1916571-90-8
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Related CAS # |
1916571-90-8
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SMILES |
S=C(N1CCN(CC2=CC=C(C(F)(F)F)C=C2)CC1)NC3=NC(C)=CC(C)=C3
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InChi Key |
PJNSZIQUFLWRLH-UHFFFAOYSA-N
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InChi Code |
InChI=1S/C20H23F3N4S/c1-14-11-15(2)24-18(12-14)25-19(28)27-9-7-26(8-10-27)13-16-3-5-17(6-4-16)20(21,22)23/h3-6,11-12H,7-10,13H2,1-2H3,(H,24,25,28)
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Chemical Name |
N-(4,6-dimethylpyridin-2-yl)-4-(4-(trifluoromethyl)benzyl)piperazine-1-carbothioamide
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Synonyms |
NCT-503 NCT 503 NCT503.
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Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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Solubility (In Vitro) |
DMSO : ~50 mg/mL (~122.41 mM)
Ethanol : ~13.33 mg/mL (~32.63 mM) |
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Solubility (In Vivo) |
Solubility in Formulation 1: 2.5 mg/mL (6.12 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.5 mg/mL (6.12 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. View More
Solubility in Formulation 3: 10 mg/mL (24.48 mM) in 50% PEG300 50% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. Solubility in Formulation 4: 2 mg/mL (4.90 mM) in 0.5% methylcellulose 0.2% Tween 80 (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. |
Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
1 mM | 2.4480 mL | 12.2402 mL | 24.4804 mL | |
5 mM | 0.4896 mL | 2.4480 mL | 4.8961 mL | |
10 mM | 0.2448 mL | 1.2240 mL | 2.4480 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration: mg/mL;
Method for preparing DMSO stock solution: mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation::Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O,mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.