S-49076
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MedKoo CAT#: 206484

CAS#: 1265965-22-7

Description: S-49076 is a novel, potent inhibitor of MET, AXL/MER, and FGFR1/2/3. A phase I study with S-49076 is currently underway in patients with advanced solid tumors.


Chemical Structure

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S-49076
CAS# 1265965-22-7

Theoretical Analysis

MedKoo Cat#: 206484
Name: S-49076
CAS#: 1265965-22-7
Chemical Formula: C22H22N4O4S
Exact Mass: 438.14
Molecular Weight: 438.500
Elemental Analysis: C, 60.26; H, 5.06; N, 12.78; O, 14.59; S, 7.31

Price and Availability

Size Price Availability Quantity
10mg USD 500 2 Weeks
50mg USD 950 2 Weeks
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Synonym: S-49076; S49076; S 49076.

IUPAC/Chemical Name: (Z)-3-((3-((4-(morpholinomethyl)-1H-pyrrol-2-yl)methylene)-2-oxoindolin-5-yl)methyl)thiazolidine-2,4-dione

InChi Key: AREYWCZYVPSHGS-NVMNQCDNSA-N

InChi Code: InChI=1S/C22H22N4O4S/c27-20-13-31-22(29)26(20)12-14-1-2-19-17(8-14)18(21(28)24-19)9-16-7-15(10-23-16)11-25-3-5-30-6-4-25/h1-2,7-10,23H,3-6,11-13H2,(H,24,28)/b18-9-

SMILES Code: O=C(N1CC2=CC3=C(NC(/C3=C\C4=CC(CN5CCOCC5)=CN4)=O)C=C2)SCC1=O

Appearance: Solid powder

Purity: >98% (or refer to the Certificate of Analysis)

Shipping Condition: Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.

Storage Condition: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).

Solubility: Soluble in DMSO

Shelf Life: >2 years if stored properly

Drug Formulation: This drug may be formulated in DMSO

Stock Solution Storage: 0 - 4 C for short term (days to weeks), or -20 C for long term (months).

HS Tariff Code: 2934.99.9001

More Info: Related CAS# 1265965-22-7(S-49076 Free Base) 1265966-31-1(722572

Product Data:
Biological target:
In vitro activity:
In vivo activity:

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 87.0 198.40

Preparing Stock Solutions

The following data is based on the product molecular weight 438.50 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
Formulation protocol: 1. Clémenson C, Chargari C, Liu W, Mondini M, Ferté C, Burbridge MF, Cattan V, Jacquet-Bescond A, Deutsch E. The MET/AXL/FGFR Inhibitor S49076 Impairs Aurora B Activity and Improves the Antitumor Efficacy of Radiotherapy. Mol Cancer Ther. 2017 Oct;16(10):2107-2119. doi: 10.1158/1535-7163.MCT-17-0112. Epub 2017 Jun 15. PMID: 28619752. 2. Burbridge MF, Bossard CJ, Saunier C, Fejes I, Bruno A, Léonce S, Ferry G, Da Violante G, Bouzom F, Cattan V, Jacquet-Bescond A, Comoglio PM, Lockhart BP, Boutin JA, Cordi A, Ortuno JC, Pierré A, Hickman JA, Cruzalegui FH, Depil S. S49076 is a novel kinase inhibitor of MET, AXL, and FGFR with strong preclinical activity alone and in association with bevacizumab. Mol Cancer Ther. 2013 Sep;12(9):1749-62. doi: 10.1158/1535-7163.MCT-13-0075. Epub 2013 Jun 26. PMID: 23804704. 3. Tosca EM, Gauderat G, Fouliard S, Burbridge M, Chenel M, Magni P. Modeling restoration of gefitinib efficacy by co-administration of MET inhibitors in an EGFR inhibitor-resistant NSCLC xenograft model: A tumor-in-host DEB-based approach. CPT Pharmacometrics Syst Pharmacol. 2021 Nov;10(11):1396-1411. doi: 10.1002/psp4.12710. Epub 2021 Oct 28. PMID: 34708556; PMCID: PMC8592518. 4. Rodon J, Postel-Vinay S, Hollebecque A, Nuciforo P, Azaro A, Cattan V, Marfai L, Sudey I, Brendel K, Delmas A, Malasse S, Soria JC. First-in-human phase I study of oral S49076, a unique MET/AXL/FGFR inhibitor, in advanced solid tumours. Eur J Cancer. 2017 Aug;81:142-150. doi: 10.1016/j.ejca.2017.05.007. PMID: 28624695.
In vitro protocol: 1. Clémenson C, Chargari C, Liu W, Mondini M, Ferté C, Burbridge MF, Cattan V, Jacquet-Bescond A, Deutsch E. The MET/AXL/FGFR Inhibitor S49076 Impairs Aurora B Activity and Improves the Antitumor Efficacy of Radiotherapy. Mol Cancer Ther. 2017 Oct;16(10):2107-2119. doi: 10.1158/1535-7163.MCT-17-0112. Epub 2017 Jun 15. PMID: 28619752. 2. Burbridge MF, Bossard CJ, Saunier C, Fejes I, Bruno A, Léonce S, Ferry G, Da Violante G, Bouzom F, Cattan V, Jacquet-Bescond A, Comoglio PM, Lockhart BP, Boutin JA, Cordi A, Ortuno JC, Pierré A, Hickman JA, Cruzalegui FH, Depil S. S49076 is a novel kinase inhibitor of MET, AXL, and FGFR with strong preclinical activity alone and in association with bevacizumab. Mol Cancer Ther. 2013 Sep;12(9):1749-62. doi: 10.1158/1535-7163.MCT-13-0075. Epub 2013 Jun 26. PMID: 23804704.
In vivo protocol: 1. Tosca EM, Gauderat G, Fouliard S, Burbridge M, Chenel M, Magni P. Modeling restoration of gefitinib efficacy by co-administration of MET inhibitors in an EGFR inhibitor-resistant NSCLC xenograft model: A tumor-in-host DEB-based approach. CPT Pharmacometrics Syst Pharmacol. 2021 Nov;10(11):1396-1411. doi: 10.1002/psp4.12710. Epub 2021 Oct 28. PMID: 34708556; PMCID: PMC8592518. 2. Rodon J, Postel-Vinay S, Hollebecque A, Nuciforo P, Azaro A, Cattan V, Marfai L, Sudey I, Brendel K, Delmas A, Malasse S, Soria JC. First-in-human phase I study of oral S49076, a unique MET/AXL/FGFR inhibitor, in advanced solid tumours. Eur J Cancer. 2017 Aug;81:142-150. doi: 10.1016/j.ejca.2017.05.007. PMID: 28624695.

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1: Burbridge MF, Bossard CJ, Saunier C, Fejes I, Bruno A, Léonce S, Ferry G, Da
Violante G, Bouzom F, Cattan V, Jacquet-Bescond A, Comoglio PM, Lockhart BP,
Boutin JA, Cordi A, Ortuno JC, Pierré A, Hickman JA, Cruzalegui FH, Depil S.
S49076 is a novel kinase inhibitor of MET, AXL, and FGFR with strong preclinical
activity alone and in association with bevacizumab. Mol Cancer Ther. 2013
Sep;12(9):1749-62. doi: 10.1158/1535-7163.MCT-13-0075. Epub 2013 Jun 26. PubMed
PMID: 23804704.