JCN037
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MedKoo CAT#: 462076

CAS#: 2305154-31-6

Description: JCN037 is a potent brain-penetrant EGFR tyrosine kinase inhibitor against malignant brain tumors. JCN037 displayed potent activity against EGFR amplified/mutant patient-derived cell cultures, significant BBB penetration (2:1 brain-to-plasma ratio), and superior efficacy in an EGFR-driven orthotopic glioblastoma xenograft model.

Chemical Structure

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JCN037
CAS# 2305154-31-6
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 462076
Name: JCN037
CAS#: 2305154-31-6
Chemical Formula: C16H11BrFN3O2
Exact Mass: 375.00
Molecular Weight: 376.185
Elemental Analysis: C, 51.09; H, 2.95; Br, 21.24; F, 5.05; N, 11.17; O, 8.51

Price and Availability

Size Price Availability Quantity
50mg USD 750 2 Weeks
100mg USD 1250 2 Weeks
200mg USD 1850 2 Weeks
500mg USD 3250 2 Weeks
1g USD 4650 2 Weeks
2g USD 7450 2 Weeks
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Synonym: JCN-037; JCN037; JCN 037

IUPAC/Chemical Name: N-(3-bromo-2-fluorophenyl)-7,8-dihydro-[1,4]dioxino[2,3-g]quinazolin-4-amine

InChi Key: MTLUFWWVOINWEL-UHFFFAOYSA-N

InChi Code: InChI=1S/C16H11BrFN3O2/c17-10-2-1-3-11(15(10)18)21-16-9-6-13-14(23-5-4-22-13)7-12(9)19-8-20-16/h1-3,6-8H,4-5H2,(H,19,20,21)

SMILES Code: FC1=C(Br)C=CC=C1NC2=C3C=C(OCCO4)C4=CC3=NC=N2

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: >3 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:

Product Data:
Product Data
Instruction:
View handling instruction
Biological target: JCN037 (JGK037) is non-covalent and BBB-penetrant EGFR tyrosine kinase inhibitor, with IC50 values of 2.49 nM, 3.95 nM, 4.48 nM for EGFR, p-wtEGFR and pEGFRvⅢ, respectively.
In vitro activity: Together, these results indicate that 5 (JCN037) can potently inhibit the signaling and growth of EGFRvIII mutant and EGFR amplified primary GBM cells at levels on par with or better than that of both erlotinib and lapatinib. Reference: ACS Med Chem Lett. 2020 May 1;11(10):1799-1809. https://pubmed.ncbi.nlm.nih.gov/33062157/
In vivo activity: Conversely, tumors from 5 (JCN037)-treated mice showed a significant decrease in EGFRvIII activity that was associated with reduced RAS-MAPK and PI3K-AKT-mTOR signaling (Figure 2B and C). These data support the hypothesis that the heightened BBB penetration of 5 would result in a greater capacity to inhibit EGFR signaling in an orthotopic GBM xenograft model. Reference: ACS Med Chem Lett. 2020 May 1;11(10):1799-1809. https://pubmed.ncbi.nlm.nih.gov/33062157/

Solubility Data

Solvent Max Conc. mg/mL Max Conc. mM
Solubility
DMSO 250.0 664.57

Preparing Stock Solutions

The following data is based on the product molecular weight 376.19 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: 1. Tsang JE, Urner LM, Kim G, Chow K, Baufeld L, Faull K, Cloughesy TF, Clark PM, Jung ME, Nathanson DA. Development of a Potent Brain-Penetrant EGFR Tyrosine Kinase Inhibitor against Malignant Brain Tumors. ACS Med Chem Lett. 2020 May 1;11(10):1799-1809. doi: 10.1021/acsmedchemlett.9b00599. PMID: 33062157; PMCID: PMC7549123.
In vitro protocol: 1. Tsang JE, Urner LM, Kim G, Chow K, Baufeld L, Faull K, Cloughesy TF, Clark PM, Jung ME, Nathanson DA. Development of a Potent Brain-Penetrant EGFR Tyrosine Kinase Inhibitor against Malignant Brain Tumors. ACS Med Chem Lett. 2020 May 1;11(10):1799-1809. doi: 10.1021/acsmedchemlett.9b00599. PMID: 33062157; PMCID: PMC7549123.
In vivo protocol: 1. Tsang JE, Urner LM, Kim G, Chow K, Baufeld L, Faull K, Cloughesy TF, Clark PM, Jung ME, Nathanson DA. Development of a Potent Brain-Penetrant EGFR Tyrosine Kinase Inhibitor against Malignant Brain Tumors. ACS Med Chem Lett. 2020 May 1;11(10):1799-1809. doi: 10.1021/acsmedchemlett.9b00599. PMID: 33062157; PMCID: PMC7549123.

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1: Jonathan E. Tsang, Lorenz M. Urner, Gyudong Kim, Kingsley Chow, Lynn Baufeld, Kym Faull, Timothy F. Cloughesy, Peter M. Clark, Michael E. Jung, and David A. Nathanson. Development of a Potent Brain-Penetrant EGFR Tyrosine Kinase Inhibitor against Malignant Brain Tumors. ACS Medicinal Chemistry Letters Article ASAP. DOI: 10.1021/acsmedchemlett.9b00599