JND3229 | CAS#2260886-64-2 | EGFRC797S Mutant Inhibitor

MedKoo Cat#: 407933 | Name: JND3229

Description:

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

JND3229 is a New EGFRC797S Mutant Inhibitor with In Vivo Monodrug Efficacy (IC50 = 5.8 nM). JND3229 potently inhibited EGFRC797S mutated kinase and strongly suppressed the proliferation of BaF3 cells harboring the EGFRL858R/T790M/C797S and EGFR19D/T790M/C797S mutations with IC50 values of 0.51 and 0.32 μM, respectively.

Chemical Structure

JND3229

CAS#2260886-64-2

Theoretical Analysis

MedKoo Cat#: 407933

Name: JND3229

CAS#: 2260886-64-2

Chemical Formula: C33H41ClN8O2

Exact Mass: 616.3041

Molecular Weight: 617.20

Elemental Analysis: C, 64.22; H, 6.70; Cl, 5.74; N, 18.16; O, 5.18

Price and Availability

Size	Price	Availability
10mg	USD 450.00	2 Weeks
25mg	USD 750.00	2 Weeks
100mg	USD 1,650.00	2 Weeks
1g	USD 4,650.00	2 Weeks

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Synonym

JND3229; JND-3229; JND 3229;

IUPAC/Chemical Name

N-((1r,4r)-4-(3-(2-chlorophenyl)-7-((3-methyl-4-(4-methylpiperazin-1-yl)phenyl)amino)-2-oxo-3,4-dihydropyrimido[4,5-d]pyrimidin-1(2H)-yl)cyclohexyl)propionamide

InChi Key

WVLWGBZNXIVAKC-YOCNBXQISA-N

InChi Code

InChI=1S/C33H41ClN8O2/c1-4-30(43)36-24-9-12-26(13-10-24)42-31-23(21-41(33(42)44)29-8-6-5-7-27(29)34)20-35-32(38-31)37-25-11-14-28(22(2)19-25)40-17-15-39(3)16-18-40/h5-8,11,14,19-20,24,26H,4,9-10,12-13,15-18,21H2,1-3H3,(H,36,43)(H,35,37,38)/t24-,26-

SMILES Code

CCC(N[C@H]1CC[C@H](N(C2=NC(NC3=CC=C(N4CCN(C)CC4)C(C)=C3)=NC=C2CN5C6=CC=CC=C6Cl)C5=O)CC1)=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

>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:

JND3229 is a reversible EGFRC797S inhibitor with IC50 values of 5.8, 6.8 and 30.5 nM for EGFRL858R/T790M/C797S, EGFRWT and EGFRL858R/T790M, respectively.

In vitro activity:

The strong kinase inhibition of JND3229 was further validated by investigating its potential suppression on activity of EGFR signals in BaF3 cells stably transfected with EGFRL858R/T790M/C797S and EGFR19D/T790M/C797S (Figure 3). It was shown that JND3229 potently inhibited the phosphorylation of EGFRL858R/T790M/C797S and EGFR19D/T790M/C797S in a dose-dependent manner. Consistent with its nonselective inhibition against EGFRWT, JND3229 also obviously suppressed the proliferation of A431 cancer cells overexpressing EGFRWT with an IC50 value of 0.27 μM. Reference: ACS Med Chem Lett. 2018 Oct 8;9(11):1123-1127. https://pubmed.ncbi.nlm.nih.gov/30429956/

In vivo activity:

The in vivo anticancer efficacy of JND3229 was also examined using a xenograft mouse model. The data showed that administration of JND3229 caused an obvious suppression of tumor growth with a tumor growth inhibition (TGI) value of 42.2% (Figure 5A), which was more potent than that of EAI045/cetuximab combination (TGI = 22.3%, Figure 5B). Reference: ACS Med Chem Lett. 2018 Oct 8;9(11):1123-1127. https://pubmed.ncbi.nlm.nih.gov/30429956/

	Solvent	mg/mL	mM
Solubility
	DMSO	56.3	91.14
	Ethanol	100.0	162.02

Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 617.20 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

Formulation protocol:

1. Lu X, Zhang T, Zhu SJ, Xun Q, Tong L, Hu X, Li Y, Chan S, Su Y, Sun Y, Chen Y, Ding J, Yun CH, Xie H, Ding K. Discovery of JND3229 as a New EGFRC797S Mutant Inhibitor with In Vivo Monodrug Efficacy. ACS Med Chem Lett. 2018 Oct 8;9(11):1123-1127. doi: 10.1021/acsmedchemlett.8b00373. PMID: 30429956; PMCID: PMC6231186.

In vitro protocol:

In vivo protocol:

Discovery of JND3229 as a New EGFRC797S Mutant Inhibitor with In Vivo Monodrug Efficacy Xiaoyun Lu, Tao Zhang, Su-Jie Zhu, Qiuju Xun, Lingjiang Tong, Xianglong Hu, Yan Li, Shingpan Chan, Yi Su, Yiming Sun, Yi Chen, Jian Ding, Cai-Hong Yun, Hua Xie, and Ke Ding Publication Date (Web): October 8, 2018 (Letter) DOI: 10.1021/acsmedchemlett.8b00373