WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 463436
Description: ZINC20531199 is a novel EGFR triple mutant T790M/C797S allosteric inhibitor.
MedKoo Cat#: 463436
Chemical Formula: C20H17N3O2S
Exact Mass: 363.1041
Molecular Weight: 363.435
Elemental Analysis: C, 66.10; H, 4.72; N, 11.56; O, 8.80; S, 8.82
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Synonym: ZINC20531199; ZINC 20531199; ZINC-20531199;
IUPAC/Chemical Name: (R)-2-(1-oxoisoindolin-2-yl)-3-phenyl-N-(thiazol-2-yl)propanamide
InChi Key: RJIOUIMLBPAEMB-QGZVFWFLSA-N
InChi Code: InChI=1S/C20H17N3O2S/c24-18(22-20-21-10-11-26-20)17(12-14-6-2-1-3-7-14)23-13-15-8-4-5-9-16(15)19(23)25/h1-11,17H,12-13H2,(H,21,22,24)/t17-/m1/s1
SMILES Code: O=C(NC1=NC=CS1)[C@H](N(CC2=C3C=CC=C2)C3=O)CC4=CC=CC=C4
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: >3 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 363.435 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: Patel HM, Ahmad I, Pawara R, Shaikh M, Surana S. In silico search of triple mutant T790M/C797S allosteric inhibitors to conquer acquired resistance problem in non-small cell lung cancer (NSCLC): a combined approach of structure- based virtual screening and molecular dynamics simulation. J Biomol Struct Dyn. 2020 Mar 6:1-15. doi: 10.1080/07391102.2020.1734092. Epub ahead of print. PMID: 32102624.