| Size | Price | Stock | Qty |
|---|---|---|---|
| 500mg |
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| 1g |
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| Other Sizes |
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| ln Vitro |
PHGDH-IN-3 (compound D8) exhibits strong enzymatic inhibitory action, as evidenced by its IC50 value of 2.8 μM[1]. PHGDH-IN-3 exhibits a strong affinity for PHGDH protein, as evidenced by its Kd value of 2.33 μM [1]. Antibiotic-induced de novo serine synthesis in MDA-MB-468 cells can be inhibited by PHGDH-IN-3 [1].
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|---|---|
| ln Vivo |
PHGDH-IN-3 (compound D8) (po, iv; 1, 3 mg/kg) exhibits excellent domestic pharmacokinetic properties [1]. PHGDH-IN-3 (ip; 12.5, 25, 50 mg/) kg; once a day for 31 consecutive days) exerts a significant anti-tumor effect in the PC9 xenograft mouse model [1].
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| Animal Protocol |
Animal/Disease Models: ICR mouse[1]
Doses: 1, 3 mg/kg Route of Administration: Oral (po) and intravenous (iv) (iv)(iv) Administration Experimental Results: PK parameters iv (1 mg/kg) po (3 mg/kg ) AUC (h·ng/mL) 38,358 ± 14,768 94,386 ± 23,416 T1/2(h) 4.94 ± 0.38 4.74 ± 0.30 Tmax (h) 3.33 ± 1.15 CL_obs(mL/min/kg) 0.48 ± 0.23 Cmax(ng/mL ) 8842 ± 1755 F (%) 82.0 Animal/Disease Models: Balb/c nude mice [1] Doses: 12.5, 25, 50 mg/kg Route of Administration: intraperitoneal; one time/day for 31 days Experimental Results: Demonstrated It has anti-tumor effects in vivo and Dramatically delays tumor growth. 25 mg/kg Dramatically diminished tumor weight in mice. |
| References |
| Molecular Formula |
C24H18FN3O4S2
|
|---|---|
| Molecular Weight |
495.545826435089
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| Exact Mass |
495.07
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| Elemental Analysis |
C, 58.17; H, 3.66; F, 3.83; N, 8.48; O, 12.91; S, 12.94
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| CAS # |
2893778-31-7
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| PubChem CID |
166638116
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| Appearance |
Off-white to light brown solid powder
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| LogP |
4.1
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
7
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| Heavy Atom Count |
34
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| Complexity |
829
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C(NC1=NC(C2=CC=CC(F)=C2)=CS1)(=O)C1=CC=C(S(NC2=CC=CC(C(C)=O)=C2)(=O)=O)C=C1
|
| InChi Key |
VUAMLKVINZWIJR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C24H18FN3O4S2/c1-15(29)17-4-3-7-20(13-17)28-34(31,32)21-10-8-16(9-11-21)23(30)27-24-26-22(14-33-24)18-5-2-6-19(25)12-18/h2-14,28H,1H3,(H,26,27,30)
|
| Chemical Name |
4-(N-(3-acetylphenyl)sulfamoyl)-N-(4-(3-fluorophenyl)thiazol-2-yl)benzamide
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| Synonyms |
PHGDH inhibitor D8; PHGDH-IN-D8; GLXC-26715; PHGDH-IN-3
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month Note: This product requires protection from light (avoid light exposure) during transportation and storage. |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
|
| Solubility (In Vitro) |
DMSO : ~100 mg/mL (~201.80 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 5 mg/mL (10.09 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 50.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0180 mL | 10.0898 mL | 20.1796 mL | |
| 5 mM | 0.4036 mL | 2.0180 mL | 4.0359 mL | |
| 10 mM | 0.2018 mL | 1.0090 mL | 2.0180 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.
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