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BEBT-109

CAT: 0013-GTR19218931-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19218931-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BEBT-109 is a potent and selective EGFR inhibitor designed for research into EGFR-mutant non-small cell lung cancer (NSCLC) . It demonstrates significant anti-tumor efficacy in both cellular assays and animal models, making it a valuable tool for investigating targeted cancer therapies.
CAS Number
2050906-40-4
Product Name Alternative
BEBT109
Field of Research
Cardiovascular Research, Signal Transduction
Purity
97.26% (May vary between batches)
Smiles
O=C (C=C) NC1=CC (NC2=NC=CC (=N2) N3C=CC=4N=C (OC) C=CC43) =C (OC) C=C1N (C) CCN (C) C
Molecular Formula
C27H32N8O3
Molecular Weight
516.6
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(2-((2-(Dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide
CAS Number2050906-40-4
PubChem CID126670204
IUPAC NameN-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(5-methoxypyrrolo[3,2-b]pyridin-1-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
Molecular FormulaC27H32N8O3
Molecular Weight516.6
XLogP3.4
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count38
Formal Charge0
Complexity773
SMILES
CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)N3C=CC4=C3C=CC(=N4)OC)OC
InChI
InChI=1S/C27H32N8O3/c1-7-25(36)29-19-16-20(23(37-5)17-22(19)34(4)15-14-33(2)3)31-27-28-12-10-24(32-27)35-13-11-18-21(35)8-9-26(30-18)38-6/h7-13,16-17H,1,14-15H2,2-6H3,(H,29,36)(H,28,31,32)
InChIKey
HLHLCZJZIOARRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(2-((2-(Dimethylamino)ethyl)(methyl)amino)-4-methoxy-5-((4-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-1-yl)pyrimidin-2-yl)amino)phenyl)acrylamide
CAS: 2050906-40-4
CID: 126670204
Formula: C27H32N8O3
MW: 516.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight516.6
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass516.25973691
Monoisotopic Mass516.25973691
Topological Polar Surface Area110 Ų
Heavy Atom Count38
Formal Charge0
Complexity773
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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