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Zongertinib

CAT: 0607-BA8876-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA8876-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2728667-27-2
Form
A solid
Molecular Formula
C29H29N9O2
Molecular Weight
535.60
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

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

Zongertinib is a selective, irreversible tyrosine kinase inhibitor that targets human epidermal growth factor receptor 2 (HER2). It covalently binds to the HER2 receptor, including exon 20 insertions, and inhibits downstream signaling pathways while sparing wild-type epidermal growth factor receptor (EGFR), which serves to limit associated toxicities. On August 8, 2025, the US FDA granted accelerated approval to zongertinib for the treatment of advanced forms of non-small cell lung cancer (NSCLC) with HER2 tyrosine kinase domain activating mutations.

CAS Number2728667-27-2
PubChem CID160283094
IUPAC NameN-[1-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]prop-2-enamide
Molecular FormulaC29H29N9O2
Molecular Weight535.6
XLogP4.1
Topological Polar Surface Area123
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity870
SMILES
CC1=C(C=CC(=C1)NC2=NC=NC3=CN=C(N=C32)N4CCC(CC4)NC(=O)C=C)OC5=CC6=C(C=C5)N(C=N6)C
InChI
InChI=1S/C29H29N9O2/c1-4-26(39)34-19-9-11-38(12-10-19)29-30-15-23-27(36-29)28(32-16-31-23)35-20-5-8-25(18(2)13-20)40-21-6-7-24-22(14-21)33-17-37(24)3/h4-8,13-17,19H,1,9-12H2,2-3H3,(H,34,39)(H,31,32,35)
InChIKey
YSGNGFPNTLERCR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 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
CAS: 2728667-27-2
CID: 160283094
Formula: C29H29N9O2
MW: 535.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight535.6
XLogP34.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass535.24442120
Monoisotopic Mass535.24442120
Topological Polar Surface Area123 Ų
Heavy Atom Count40
Formal Charge0
Complexity870
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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A24336-5Zongertinib (BI 1810631) 5mg

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