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BI-4142

CAT: 0013-GTR19184993-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19184993-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BI-4142 is a potent, selective, and orally bioavailable small molecule inhibitor of HER2. It effectively suppresses proliferation in HER2-dependent cell lines and blocks downstream signaling pathways, making it a valuable tool for in vitro and in vivo research in oncology and targeted therapy development.
CAS Number
2682003-36-5
Product Name Alternative
HER2
Field of Research
Cardiovascular Research, Signal Transduction
Purity
97.21% (May vary between batches)
Solubility
DMSO:80 mg/mL (153.38 mM)
Smiles
O=C (C=C) N1CCN (C2=NC=C3N=CN=C (NC4=CC=C (OC=5C=CC6=C (N=CN6C) C5) C (=C4) C) C3=N2) CC1
Molecular Formula
C28H27N9O2
Molecular Weight
521.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-[4-[4-[3-Methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]prop-2-en-1-one
CAS Number2682003-36-5
PubChem CID156821183
IUPAC Name1-[4-[4-[3-methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]prop-2-en-1-one
Molecular FormulaC28H27N9O2
Molecular Weight521.6
XLogP3.5
Topological Polar Surface Area114
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count39
Formal Charge0
Complexity855
SMILES
CC1=C(C=CC(=C1)NC2=NC=NC3=CN=C(N=C32)N4CCN(CC4)C(=O)C=C)OC5=CC6=C(C=C5)N(C=N6)C
InChI
InChI=1S/C28H27N9O2/c1-4-25(38)36-9-11-37(12-10-36)28-29-15-22-26(34-28)27(31-16-30-22)33-19-5-8-24(18(2)13-19)39-20-6-7-23-21(14-20)32-17-35(23)3/h4-8,13-17H,1,9-12H2,2-3H3,(H,30,31,33)
InChIKey
JKBYBPNRTMHEGS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-[4-[4-[3-Methyl-4-(1-methylbenzimidazol-5-yl)oxyanilino]pyrimido[5,4-d]pyrimidin-6-yl]piperazin-1-yl]prop-2-en-1-one
CAS: 2682003-36-5
CID: 156821183
Formula: C28H27N9O2
MW: 521.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight521.6
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass521.22877114
Monoisotopic Mass521.22877114
Topological Polar Surface Area114 Ų
Heavy Atom Count39
Formal Charge0
Complexity855
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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