MedKoo Cat#: 563003 | Name: S116836
Featured New

Description:

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

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

Chemical Structure

S116836
S116836
CAS#1257628-57-1

Theoretical Analysis

MedKoo Cat#: 563003

Name: S116836

CAS#: 1257628-57-1

Chemical Formula: C27H21F3N6O

Exact Mass: 502.1729

Molecular Weight: 502.50

Elemental Analysis: C, 64.54; H, 4.21; F, 11.34; N, 16.72; O, 3.18

Price and Availability

Size Price Availability Quantity
25mg USD 950.00 2 Weeks
50mg USD 1,450.00 2 Weeks
100mg USD 2,450.00 2 Weeks
1g USD 7,850.00 2 Weeks
2g USD 12,450.00 2 Weeks
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
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
More Info

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
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.