MedKoo Cat#: 463436 | Name: ZINC20531199

Description:

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

ZINC20531199 is a novel EGFR triple mutant T790M/C797S allosteric inhibitor.

Chemical Structure

ZINC20531199
ZINC20531199
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 463436

Name: ZINC20531199

CAS#: unknown

Chemical Formula: C20H17N3O2S

Exact Mass: 363.1041

Molecular Weight: 363.44

Elemental Analysis: C, 66.10; H, 4.72; N, 11.56; O, 8.80; S, 8.82

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 #
No Data
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
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 363.44 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: 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.