JND3229
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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

Theoretical Analysis

MedKoo Cat#: 407933
Name: JND3229
CAS#: 2260886-64-2
Chemical Formula: C33H41ClN8O2
Exact Mass: 616.3041
Molecular Weight: 617.195
Elemental Analysis: C, 64.22; H, 6.70; Cl, 5.74; N, 18.16; O, 5.18

Price and Availability

Size Price Availability Quantity
25.0mg USD 350.0 2 Weeks
50.0mg USD 650.0 2 Weeks
100.0mg USD 1050.0 2 Weeks
200.0mg USD 1650.0 2 Weeks
500.0mg USD 2450.0 2 Weeks
1.0g USD 3450.0 2 Weeks
2.0g USD 5650.0 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

Preparing Stock Solutions

The following data is based on the product molecular weight 617.195 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

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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

JND3229

25.0mg / USD 350.0