MedKoo Cat#: EGFR Inhibitor D51 | Name: EGFR Inhibitor D51

Description:

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

EGFR inhibitor D51 is a potent, wild-type-sparing fourth-generation EGFR inhibitor. It is being investigated for treatment of osimertinib-resistance non-small cell lung cancer (NCSCL), potently inhibiting the EGFRL858R/T790M/C797S mutant with an IC50 value of 14 nM and suppressing the proliferation of H1975-TM cells with an IC50 value of 14 nM. It shows over 500-fold selectivity against wild-type forms, also inhibiting the EGFRdel19/T790M/C797S mutant and the proliferation of the PC9-TM cell line with IC50 values of 62 and 82 nM.

Chemical Structure

EGFR Inhibitor D51
EGFR Inhibitor D51
CAS#EGFR inhibitor D51

Theoretical Analysis

MedKoo Cat#: EGFR Inhibitor D51

Name: EGFR Inhibitor D51

CAS#: EGFR inhibitor D51

Chemical Formula: C27H27F3N6O2S

Exact Mass: 556.1868

Molecular Weight: 556.61

Elemental Analysis: C, 58.26; H, 4.89; F, 10.24; N, 15.10; O, 5.75; S, 5.76

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
EGFR In D51, EGFR-In-D51, EGFR In-D51, EGFR-Inhibitor-D51, EGFR Inhibitor-D51,
IUPAC/Chemical Name
1-(2-(Dimethylamino)ethyl)-N-(4-(1-(ethylsulfonyl)-1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-yl)-1H-indol-5-amine
InChi Key
YETCUDGHQDLIRZ-UHFFFAOYSA-N
InChi Code
InChI=1S/C27H27F3N6O2S/c1-4-39(37,38)36-17-21(20-7-5-6-8-24(20)36)25-22(27(28,29)30)16-31-26(33-25)32-19-9-10-23-18(15-19)11-12-35(23)14-13-34(2)3/h5-12,15-17H,4,13-14H2,1-3H3,(H,31,32,33)
SMILES Code
FC(C1=CN=C(NC2=CC3=C(N(CCN(C)C)C=C3)C=C2)N=C1C4=CN(S(=O)(CC)=O)C5=C4C=CC=C5)(F)F
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 556.61 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. Dong H, Ye X, Zhu Y, Shen H, Shen H, Chen W, Ji M, Zheng M, Wang K, Cai Z, Sun H, Xiao Y, Yang P. Discovery of Potent and Wild-Type-Sparing Fourth-Generation EGFR Inhibitors for Treatment of Osimertinib-Resistance NSCLC. J Med Chem. 2023 May 25;66(10):6849-6868. doi: 10.1021/acs.jmedchem.3c00277. Epub 2023 May 4. PMID: 37141440.