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.
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
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
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.
| 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 |
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
