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MedKoo Cat#: 463851 | Name: Dosimertinib

Description:

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

Dosimertinib is a novel highly potent, selective, and orally efficacious deuterated EGFR inhibitor.

Chemical Structure

Dosimertinib
Dosimertinib
CAS#unknown

Theoretical Analysis

MedKoo Cat#: 463851

Name: Dosimertinib

CAS#: unknown

Chemical Formula: C29H32D5N7O5S

Exact Mass: 600.2891

Molecular Weight: 600.75

Elemental Analysis: C, 57.98; H, 7.05; N, 16.32; O, 13.32; S, 5.34

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
Dosimertinib;
IUPAC/Chemical Name
N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(1-(methyl-d3)-1H-indol-3-yl)pyrimidin-2-yl)amino)phenyl)acrylamide-3,3-d2 methanesulfonate
InChi Key
FUKSNUHSJBTCFJ-FYWAFROVSA-N
InChi Code
InChI=1S/C28H33N7O2.CH4O3S/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24;1-5(2,3)4/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32);1H3,(H,2,3,4)/i1D2,5D3;
SMILES Code
O=C(NC1=CC(NC2=NC=CC(C3=CN(C([2H])([2H])[2H])C4=C3C=CC=C4)=N2)=C(OC)C=C1N(CCN(C)C)C)/C=C([2H])\[2H].OS(=O)(C)=O
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
>2 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 600.75 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: Meng Y, Yu B, Huang H, Peng Y, Li E, Yao Y, Song C, Yu W, Zhu K, Wang K, Yi D, Du J, Chang J. Discovery of Dosimertinib, a Highly Potent, Selective, and Orally Efficacious Deuterated EGFR Targeting Clinical Candidate for the Treatment of Non-Small-Cell Lung Cancer. J Med Chem. 2021 Jan 18. doi: 10.1021/acs.jmedchem.0c02005. Epub ahead of print. PMID: 33459024.