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MedKoo Cat#: 208332 | Name: EGFR T790M inhibitor 6a

Description:

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

EGFR T790M inhibitor 6a is an inhibitor which targets EGFR T790M mutation in non small lung cancer

Chemical Structure

EGFR T790M inhibitor 6a
EGFR T790M inhibitor 6a
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 208332

Name: EGFR T790M inhibitor 6a

CAS#: unknown

Chemical Formula: C27H29ClN6O2S

Exact Mass: 536.1761

Molecular Weight: 537.08

Elemental Analysis: C, 60.38; H, 5.44; Cl, 6.60; N, 15.65; O, 5.96; S, 5.97

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.
Bulk Inquiry
Related CAS #
No Data
Synonym
EGFRT790Minhibitor 6a, EGFR-T790M inhibitor 6a
IUPAC/Chemical Name
N-(5-((4-(Benzo[b]thiophen-3-yl)-5-chloropyrimidin-2-yl)amino)-2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxyphenyl)acrylamide
InChi Key
NQHAPTCMWDMAIX-UHFFFAOYSA-N
InChi Code
InChI=1S/C27H29ClN6O2S/c1-6-25(35)30-20-13-21(23(36-5)14-22(20)34(4)12-11-33(2)3)31-27-29-15-19(28)26(32-27)18-16-37-24-10-8-7-9-17(18)24/h6-10,13-16H,1,11-12H2,2-5H3,(H,30,35)(H,29,31,32)
SMILES Code
C=CC(NC1=CC(NC2=NC=C(Cl)C(C3=CSC4=CC=CC=C43)=N2)=C(OC)C=C1N(CCN(C)C)C)=O
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 537.08 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: Shaheen MA, El-Emam AA, El-Gohary NS. Design, synthesis and biological evaluation of new series of hexahydroquinoline and fused quinoline derivatives as potent inhibitors of wild-type EGFR and mutant EGFR (L858R and T790M). Bioorg Chem. 2020 Dec;105:104274. doi: 10.1016/j.bioorg.2020.104274. Epub 2020 Sep 12. PMID: 33339080. 2: Chen Y, Yang L, Qiao H, Cheng Z, Xie J, Zhou W, Huang X, Jiang Y, Yu B, Zhao W. Discovery of new thieno[3,2-d]pyrimidine derivatives targeting EGFRL858R/T790M NSCLCs by the conformation constrained strategy. Eur J Med Chem. 2020 Aug 1;199:112388. doi: 10.1016/j.ejmech.2020.112388. Epub 2020 May 4. PMID: 32402937. 3: Lamie PF, El-Kalaawy AM, Abdel Latif NS, Rashed LA, Philoppes JN. Pyrazolo[3,4-d]pyrimidine-based dual EGFR T790M/HER2 inhibitors: Design, synthesis, structure-activity relationship and biological activity as potential antitumor and anticonvulsant agents. Eur J Med Chem. 2021 Mar 15;214:113222. doi: 10.1016/j.ejmech.2021.113222. Epub 2021 Jan 26. PMID: 33545637. 4: An B, Liu J, Fan Y, Nie W, Yang C, Yao H, Li W, Zhang Y, Li X, Tian G. Novel third-generation pyrimidines-based EGFR tyrosine kinase inhibitors targeting EGFR T790M mutation in advanced non-small cell lung cancer. Bioorg Chem. 2022 May;122:105743. doi: 10.1016/j.bioorg.2022.105743. Epub 2022 Mar 16. PMID: 35313239. 5: Othman IMM, Alamshany ZM, Tashkandi NY, Gad-Elkareem MAM, Anwar MM, Nossier ES. New pyrimidine and pyrazole-based compounds as potential EGFR inhibitors: Synthesis, anticancer, antimicrobial evaluation and computational studies. Bioorg Chem. 2021 Sep;114:105078. doi: 10.1016/j.bioorg.2021.105078. Epub 2021 Jun 10. PMID: 34161878. 6: Botting GM, Rastogi I, Chhabra G, Nlend M, Puri N. Mechanism of Resistance and Novel Targets Mediating Resistance to EGFR and c-Met Tyrosine Kinase Inhibitors in Non-Small Cell Lung Cancer. PLoS One. 2015 Aug 24;10(8):e0136155. doi: 10.1371/journal.pone.0136155. PMID: 26301867; PMCID: PMC4547756. 7: Hamed MM, Abou El Ella DA, Keeton AB, Piazza GA, Abadi AH, Hartmann RW, Engel M. 6-Aryl and heterocycle quinazoline derivatives as potent EGFR inhibitors with improved activity toward gefitinib-sensitive and -resistant tumor cell lines. ChemMedChem. 2013 Sep;8(9):1495-504. doi: 10.1002/cmdc.201300147. Epub 2013 Jul 11. PMID: 23847159. 8: Karnik KS, Sarkate AP, Lokwani DK, Tiwari SV, Azad R, Wakte PS. Molecular dynamic simulations based discovery and development of thiazolidin-4-one derivatives as EGFR inhibitors targeting resistance in non-small cell lung cancer (NSCLC). J Biomol Struct Dyn. 2022 May 9:1-15. doi: 10.1080/07391102.2022.2071339. Epub ahead of print. PMID: 35532095.