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2370013-49-1

2370013-49-1 Structure

2370013-49-1 Structure
IdentificationBack Directory
[Name]

2-Propenamide, N-[5-[[4-[[5-chloro-4-fluoro-2-(1-hydroxy-1-methylethyl)phenyl]amino]-2-pyrimidinyl]amino]-2-[(3S)-3-(dimethylamino)-1-pyrrolidinyl]-4-methoxyphenyl]-
[CAS]

2370013-49-1
[Synonyms]

DZD9008
2-Propenamide, N-[5-[[4-[[5-chloro-4-fluoro-2-(1-hydroxy-1-methylethyl)phenyl]amino]-2-pyrimidinyl]amino]-2-[(3S)-3-(dimethylamino)-1-pyrrolidinyl]-4-methoxyphenyl]-
[Molecular Formula]

C29H35ClFN7O3
[MDL Number]

MFCD34603702
[MOL File]

2370013-49-1.mol
[Molecular Weight]

584.08
Chemical PropertiesBack Directory
[density ]

1.35±0.1 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

DMSO : 50 mg/mL (85.60 mM; Need ultrasonic)
[form ]

Solid
[pka]

12.29±0.70(Predicted)
[color ]

White to off-white
[InChIKey]

BTMKEDDEMKKSEF-KRWDZBQOSA-N
[SMILES]

C(NC1=CC(NC2=NC=CC(NC3=CC(Cl)=C(F)C=C3C(O)(C)C)=N2)=C(OC)C=C1N1CC[C@H](N(C)C)C1)(=O)C=C
Hazard InformationBack Directory
[Uses]

(S)-Sunvozertinib ((S)-DZD9008), the S-enantiomer of Sunvozertinib, shows inhibitory activity against EGFR exon 20 NPH and ASV insertions, EGFR L858R/T790M mutation and Her2 exon20 YVMA insertion (IC50=51.2 nM, 51.9 nM, 1 nM, and 21.2 nM, respectively). (S)-Sunvozertinib also inhibits BTK[1].
[Biological Activity]

(S)-Sunvozertinib ((S)-DZD9008), the S-enantiomer of Sunvozertinib, shows inhibitory activity against EGFR exon 20 NPH and ASV insertions, EGFR L858R/T790M mutation and Her2 exon20 YVMA insertion (IC50=51.2 nM, 51.9 nM, 1 nM, and 21.2 nM, respectively). (S)-Sunvozertinib also inhibits BTK[1]. (S)-Sunvozertinib shows proliferation inhibition of Ba/F3 EGFR NPH ins (GI50=139.7 nM), Ba/F3 FGFR ASV ins (155.7 nM), NCI-HI975 EGFRL858R/T790M (24.4), Her2 YVMA ins (827 nM) and WT EGFR (84.8 nM)[1].(S)-Sunvozertinib shows proliferation inhibition of BTK WT cells (OCI-LY-10, TMD-8, Ri-1and DB, with GI50 ranging from 13.7-48 nM)[1].
[IC 50]

EGFR exon 20 NPH: 51.2 nM (IC50); EGFR exon 20 ASV insertion: 51.9 nM (IC50); EGFRL858R/T790M: 1 nM (IC50); Her2 exon 20 YVMA insertion: 21.2 nM (IC50)
[References]

[1]. Zhengtao LI, et al. Erbb/btk inhibitors. WO2019149164A1.
Spectrum DetailBack Directory
[Spectrum Detail]

2-Propenamide, N-[5-[[4-[[5-chloro-4-fluoro-2-(1-hydroxy-1-methylethyl)phenyl]amino]-2-pyrimidinyl]amino]-2-[(3S)-3-(dimethylamino)-1-pyrrolidinyl]-4-methoxyphenyl]-(2370013-49-1)1HNMR
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