WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 563003
Description: S116836 is a tyrosine kinase inhibitor. It synergistically induces apoptosis in imatinib-resistant chronic myelogenous leukemia cells.
MedKoo Cat#: 563003
Chemical Formula: C27H21F3N6O
Exact Mass: 502.1729
Molecular Weight: 502.5
Elemental Analysis: C, 64.54; H, 4.21; F, 11.34; N, 16.72; O, 3.18
This product is not in stock, which may be available by custom synthesis.
For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge).
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Synonym: S116836; S-116836; S 116836;
IUPAC/Chemical Name: 3-[2-[2-(Cyclopropylamino)-5-pyrimidinyl]ethynyl]-N-[3-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-4-methyl-benzamide
InChi Key: DHNAWOULRSDMRU-UHFFFAOYSA-N
InChi Code: InChI=1S/C27H21F3N6O/c1-17-2-4-20(10-19(17)5-3-18-14-32-26(33-15-18)35-22-6-7-22)25(37)34-23-11-21(27(28,29)30)12-24(13-23)36-9-8-31-16-36/h2,4,8-16,22H,6-7H2,1H3,(H,34,37)(H,32,33,35)
SMILES Code: O=C(NC1=CC(C(F)(F)F)=CC(N2C=CN=C2)=C1)C3=CC=C(C)C(C#CC4=CN=C(NC5CC5)N=C4)=C3
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
The following data is based on the product molecular weight 502.5 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.
|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|
1: Shen Y, Ren X, Ding K, Zhang Z, Wang D, Pan J. Antitumor activity of S116836, a novel tyrosine kinase inhibitor, against imatinib-resistant FIP1L1-PDGFRα-expressing cells. Oncotarget. 2014 Nov 15;5(21):10407-20. PubMed PMID: 25431951; PubMed Central PMCID: PMC4279382.
2: Bu Q, Cui L, Li J, Du X, Zou W, Ding K, Pan J. SAHA and S116836, a novel tyrosine kinase inhibitor, synergistically induce apoptosis in imatinib-resistant chronic myelogenous leukemia cells. Cancer Biol Ther. 2014 Jul;15(7):951-62. doi: 10.4161/cbt.28931. Epub 2014 Apr 23. PubMed PMID: 24759597; PubMed Central PMCID: PMC4100996.