EGFR T790M inhibitor 6a

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

Hodoodo CAT#: H208332

CAS#: unknown

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

Chemical Structure

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EGFR T790M inhibitor 6a
CAS# unknown
Instruction

Theoretical Analysis

Hodoodo Cat#: H208332
Name: EGFR T790M inhibitor 6a
CAS#: unknown
Chemical Formula: C27H29ClN6O2S
Exact Mass: 536.18
Molecular Weight: 537.079
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 not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @hodoodo.com or click below button.
Note: Price will be listed if it is available in the future.

Request quote for custom synthesis

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:

Biological target:
In vitro activity:
In vivo activity:

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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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.