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Purity: ≥98%
NMS-E973 (NMSE973; NMSE 973) is a novel, potent and selective HSP90 (Heat Shock Protein 90) inhibitor with potential antitumor activity. It inhibits HSP90 with a DC50 of<10 nM, and shows no activiy against a panel of protein kinases. NMS-E973 shows potent anti-proliferative activity in vitro against various cancer cell lines such as A2780 tumor cell line and BT-474 breast cancer cells with IC50 values of 69nM and 110nM, respectively. It exhibits excellent in vivo antitumor efficacy in mice bearing A2780 xenografts, with a TGI of 53% at 30mg/kg.
| ln Vitro |
NMS-E973 prevents the growth of cancer cells. With 15 cell lines exhibiting an IC50 <100 nM and an average IC50 of 1.6 μM, NMS-E973 has broad antiproliferative activity[1].
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| ln Vivo |
Mice implanted subcutaneously or intracranially with A375 tumors are unable to grow when NMS-E973 (60 mg/kg; IV) is administered[1]. After being administered intravenously (10 mg/kg) to mice, NMS-E973 shows intermediate elimination half-lives (5.55±1.07 h) because of its high plasma clearance (39.9± 1.70 mL/min/kg) and wide volumes of distribution (5.83±3.18 L/kg)[1].
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| Cell Assay |
Cell Proliferation Assay[1]
Cell Types: Carcinoma breast DU -4475, EVSA-T, CAL-51, HCC1954, BT-474, HCC1419, HDQ-P1 cells; Leukemia MV-4-11 and MOLM-13 cells; Melanoma A-375 cells Tested Concentrations: Incubation Duration: 24, 48, 72 hrs (hours) Experimental Results: IC50s of 13, 16, 56, 61, 73, 76, and 89 nM for DU-4475, EVSA-T, CAL-51, HCC1954, BT-474, HCC1419, HDQ-P1 cells, respectively. IC50s of 29 and 35 nM for MV-4-11, MOLM-13 cells, respectively. The IC50 of 133 nM for A-375 cells. |
| Animal Protocol |
Animal/Disease Models: Balb/c male nude mice (aged 6 to 8 weeks) xenografted with the A375 tumors[1]
Doses: 60 mg/kg Route of Administration: Administered twice (two times) daily iv according to 2 schedules: (i) every other day for 12 days and (ii) 3 days on/1 day off/3 days on (3-1-3, one cycle). Experimental Results: Both schedules resulted in tumor shrinkage and TGI of 74% and 89%, respectively. |
| References |
| Molecular Formula |
C22H22N4O7
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| Molecular Weight |
454.43
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| Exact Mass |
454.149
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| CAS # |
1253584-84-7
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| Related CAS # |
Hsp90-IN-17 hydrochloride;1253584-63-2;Hsp90-IN-17;1253584-78-9
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| PubChem CID |
135566652
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| Appearance |
Off-white to yellow solid powder
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| LogP |
4.129
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
9
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
33
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| Complexity |
676
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| Defined Atom Stereocenter Count |
0
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| InChi Key |
YLQODGGPIHWTHR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H22N4O7/c1-25-8-6-13(7-9-25)23-22(29)17-12-20(33-24-17)21-18(28)10-15(27)11-19(21)32-16-4-2-14(3-5-16)26(30)31/h2-5,10-13,27-28H,6-9H2,1H3,(H,23,29)
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| Chemical Name |
5-[2,4-dihydroxy-6-(4-nitrophenoxy)phenyl]-N-(1-methylpiperidin-4-yl)-1,2-oxazole-3-carboxamide
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| Synonyms |
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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 |
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| 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) |
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (5.50 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 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 (5.50 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. 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 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.2006 mL | 11.0028 mL | 22.0056 mL | |
| 5 mM | 0.4401 mL | 2.2006 mL | 4.4011 mL | |
| 10 mM | 0.2201 mL | 1.1003 mL | 2.2006 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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