MedKoo Cat#: 125491 | Name: Selatinib ditosilate

Description:

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

Selatinib is a a potent dual EGFR/HER-2 inhibitor. Selatinib is also an analog of the quinazoline lapatinib with potential antineoplastic activity. Upon administration, selatinib reversibly blocks phosphorylation of both EGFR and ErbB2, thereby suppressing tumor growth in EGFR/ErbB-2-overexpressing tumor cells. The tyrosine kinases EGFR and ErbB2 have been implicated in the growth of various tumor types.

Chemical Structure

Selatinib ditosilate
Selatinib ditosilate
CAS#1452886-38-2 (ditosilate)

Theoretical Analysis

MedKoo Cat#: 125491

Name: Selatinib ditosilate

CAS#: 1452886-38-2 (ditosilate)

Chemical Formula: C43H42ClFN4O9S3

Exact Mass: 908.1800

Molecular Weight: 909.46

Elemental Analysis: C, 56.79; H, 4.66; Cl, 3.90; F, 2.09; N, 6.16; O, 15.83; S, 10.58

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
1452886-38-2 (ditosilate) 1275595-86-2 (free base)
Synonym
Selatinib ditosilate; 6Q2E32HVE7; UNII-6Q2E32HVE7; 1452886-38-2
IUPAC/Chemical Name
N-(3-chloro-4-((3-fluorobenzyl)oxy)phenyl)-6-(5-(((2-(methylsulfinyl)ethyl)amino)methyl)furan-2-yl)quinazolin-4-amine bis(4-methylbenzenesulfonate)
InChi Key
GUPXYZHIHDNPSW-UHFFFAOYSA-N
InChi Code
InChI=1S/C29H26ClFN4O3S.2C7H8O3S/c1-39(36)12-11-32-16-23-7-10-27(38-23)20-5-8-26-24(14-20)29(34-18-33-26)35-22-6-9-28(25(30)15-22)37-17-19-3-2-4-21(31)13-19;2*1-6-2-4-7(5-3-6)11(8,9)10/h2-10,13-15,18,32H,11-12,16-17H2,1H3,(H,33,34,35);2*2-5H,1H3,(H,8,9,10)
SMILES Code
CC1=CC=C(C=C1)S(O)(=O)=O.CC2=CC=C(C=C2)S(O)(=O)=O.C[S+]([O-])CCNCC3=CC=C(O3)C4=CC=C5N=CN=C(NC6=CC=C(OCC7=CC=CC(F)=C7)C(Cl)=C6)C5=C4
Appearance
To be determined
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 909.46 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: Zhang L, Fan C, Guo Z, Li Y, Zhao S, Yang S, Yang Y, Zhu J, Lin D. Discovery of a potent dual EGFR/HER-2 inhibitor L-2 (selatinib) for the treatment of cancer. Eur J Med Chem. 2013 Nov;69:833-41. doi: 10.1016/j.ejmech.2013.09.032. Epub 2013 Sep 27. PubMed PMID: 24121234.