JND3229

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

MedKoo CAT#: 407933

CAS#: 2260886-64-2

Description: 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

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JND3229
CAS# 2260886-64-2
Product data Instruction

Theoretical Analysis

MedKoo Cat#: 407933
Name: JND3229
CAS#: 2260886-64-2
Chemical Formula: C33H41ClN8O2
Exact Mass: 616.30
Molecular Weight: 617.195
Elemental Analysis: C, 64.22; H, 6.70; Cl, 5.74; N, 18.16; O, 5.18

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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/

Solubility Data

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

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.

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. 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: 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 vivo 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.

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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