ChemicalBook--->CAS DataBase List--->2728667-27-2

2728667-27-2

2728667-27-2 Structure

2728667-27-2 Structure
IdentificationBack Directory
[Name]

2-Propenamide, N-[1-[8-[[3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl]amino]pyrimido[5,4-d]pyrimidin-2-yl]-4-piperidinyl]-
[CAS]

2728667-27-2
[Synonyms]

BI-1810631
Zongertinib
N-[1-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxy-anilino]pyrimido[5,4-d]pyrimidin-6-yl]-4-piperidyl]prop-2-enamide
N-(1-(8-((3-methyl-4-((1-methyl-1H-benzo[d]imidazol-5-yl)oxy)phenyl)amino)pyrimido[5,4-d]pyrimidin-2-yl)piperidin-4-yl)acrylamide
2-Propenamide, N-[1-[8-[[3-methyl-4-[(1-methyl-1H-benzimidazol-5-yl)oxy]phenyl]amino]pyrimido[5,4-d]pyrimidin-2-yl]-4-piperidinyl]-
[Molecular Formula]

C29H29N9O2
[MOL File]

2728667-27-2.mol
[Molecular Weight]

535.6
Chemical PropertiesBack Directory
[density ]

1.39±0.1 g/cm3(Predicted)
[form ]

Solid
[pka]

14.16±0.20(Predicted)
[color ]

Light yellow to green yellow
[InChIKey]

YSGNGFPNTLERCR-UHFFFAOYSA-N
[SMILES]

C(NC1CCN(C2=NC=C3N=CN=C(NC4=CC=C(OC5=CC=C6N(C)C=NC6=C5)C(C)=C4)C3=N2)CC1)(=O)C=C
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Hazard InformationBack Directory
[Description]

Zongertinib (also known as BI 1810631) is an investigational irreversible tyrosine kinase inhibitor (TKI) that selectively inhibits HER2 (ERBB2) while inhibiting epidermal growth factor receptor (EGFR), thereby limiting associated toxicity. This oral targeted therapy is being developed for the treatment of advanced non-small cell lung cancer (NSCLC) with HER2 (ERRB2) mutations.
[Uses]

Zongertinib (BI 1810631) is a potent and selective HER2 and EGFR tyrosine kinase inhibitor with IC50 values of 13 nM and 579 nM, respectively. Zongertinib has antitumor activity and can be used in the study of multiple solid tumors[1][2][3].
[References]

[1] WHO Drug Informat ion - World Health Organization (WHO).
[2] Wilding Birgit, et al. Synthesis of diazino-pyrimidines as anticancer agents: World Intellectual Property Organization, WO2021213800. 2021-10-28.
[3] Li S, et al. Emerging Targeted Therapies in Advanced Non-Small-Cell Lung Cancer. Cancers (Basel). 2023 May 24;15(11):2899. DOI:10.3390/cancers15112899
Spectrum DetailBack Directory
[Spectrum Detail]

Zongertinib(2728667-27-2)1HNMR
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