EAI001 | CAS#892772-75-7

MedKoo Cat#: 408011 | Name: EAI001

Description:

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

EAI001 was the first non-ATP competitive EGFRL858R/T790M/C797S inhibitor.

Chemical Structure

EAI001

CAS#892772-75-7

Theoretical Analysis

MedKoo Cat#: 408011

Name: EAI001

CAS#: 892772-75-7

Chemical Formula: C19H15N3O2S

Exact Mass: 349.0885

Molecular Weight: 349.41

Elemental Analysis: C, 65.31; H, 4.33; N, 12.03; O, 9.16; S, 9.18

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

EAI001; EAI-001; EAI 001;

IUPAC/Chemical Name

2-(1-oxoisoindolin-2-yl)-2-phenyl-N-(thiazol-2-yl)acetamide

InChi Key

PWRVRDCBFYLYFU-UHFFFAOYSA-N

InChi Code

InChI=1S/C19H15N3O2S/c23-17(21-19-20-10-11-25-19)16(13-6-2-1-3-7-13)22-12-14-8-4-5-9-15(14)18(22)24/h1-11,16H,12H2,(H,20,21,23)

SMILES Code

O=C(NC1=NC=CS1)C(N(CC2=C3C=CC=C2)C3=O)C4=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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 349.41 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: Wan S, Yan R, Jiang Y, Li Z, Wu X. Insight into Binding Mechanisms of EGFR Allosteric Inhibitors using Molecular Dynamics Simulations and Free Energy Calculations. J Biomol Struct Dyn. 2018 Nov 30:1-20. doi: 10.1080/07391102.2018.1552197. [Epub ahead of print] PubMed PMID: 30499387. 2: Zhao P, Yao MY, Zhu SJ, Chen JY, Yun CH. Crystal structure of EGFR T790M/C797S/V948R in complex with EAI045. Biochem Biophys Res Commun. 2018 Jul 20;502(3):332-337. doi: 10.1016/j.bbrc.2018.05.154. PubMed PMID: 29802850.