WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 408196
CAS#: 2463200-44-2
Description: RXN00442, also known as EGFR-IN-11, is a fourth-generation EGFR-tyrosine kinase inhibitor (EGFR-TKI). This compound was first reported in Eur J Med Chem. 2020 Jan 15;186:111888. This product has no formal name at the moment. For the convenience of communication, a temporal code name was therefore proposed according to MedKoo Chemical Nomenclature (see web page: https://www.medkoo.com/page/naming).
MedKoo Cat#: 408196
Name: RXN00442
CAS#: 2463200-44-2
Chemical Formula: C29H35N9O2S
Exact Mass: 573.2634
Molecular Weight: 573.72
Elemental Analysis: C, 60.71; H, 6.15; N, 21.97; O, 5.58; S, 5.59
Synonym: EGFR-IN-11; RXN00442; RXN-00442; RXN 00442;
IUPAC/Chemical Name: (R)-9-(1-(cyclopropylsulfonyl)pyrrolidin-3-yl)-N2-(4-(4-methylpiperazin-1-yl)phenyl)-N8-phenyl-9H-purine-2,8-diamine
InChi Key: RNEHWYIFHKBZAW-XMMPIXPASA-N
InChi Code: InChI=1S/C29H35N9O2S/c1-35-15-17-36(18-16-35)23-9-7-22(8-10-23)31-28-30-19-26-27(34-28)38(29(33-26)32-21-5-3-2-4-6-21)24-13-14-37(20-24)41(39,40)25-11-12-25/h2-10,19,24-25H,11-18,20H2,1H3,(H,32,33)(H,30,31,34)/t24-/m1/s1
SMILES Code: CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C=N3)N=C(NC5=CC=CC=C5)N4[C@H]6CN(CC6)S(C7CC7)(=O)=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
The following data is based on the product molecular weight 573.72 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 |
Lei H, Fan S, Zhang H, Liu YJ, Hei YY, Zhang JJ, Zheng AQ, Xin M, Zhang SQ. Discovery of novel 9-heterocyclyl substituted 9H-purines as L858R/T790M/C797S mutant EGFR tyrosine kinase inhibitors. Eur J Med Chem. 2020 Jan 15;186:111888. doi: 10.1016/j.ejmech.2019.111888. Epub 2019 Nov 16. PMID: 31787359.
