WARNING: This product is for research use only, not for human or veterinary use.

MedKoo CAT#: 563003

CAS#: 1257628-57-1

Description: S116836 is a tyrosine kinase inhibitor. It synergistically induces apoptosis in imatinib-resistant chronic myelogenous leukemia cells.

Chemical Structure

CAS# 1257628-57-1

Theoretical Analysis

MedKoo Cat#: 563003
Name: S116836
CAS#: 1257628-57-1
Chemical Formula: C27H21F3N6O
Exact Mass: 502.17
Molecular Weight: 502.500
Elemental Analysis: C, 64.54; H, 4.21; F, 11.34; N, 16.72; O, 3.18

Price and Availability

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). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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 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

More Info:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 502.50 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:
In vitro protocol:
In vivo protocol:

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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.