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Befotertinib

CAT: 1410-M28217-02Size: 1 mL x 10 mM in DMSODry Ice: NoHazardous: No
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CAT#:1410-M28217-02Size:1 mL x 10 mM in DMSO
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Befotertinib is an inhibitor of EGFR tyrosine kinase and can be used for studies about EGFR T790M-positive non-small cell lung cancer.
CAS Number
1835667-63-4
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
567.61
Molecular Formula
C29H32F3N7O2
Notes
Research use only, not for human use.
Receptor
CDK2|CDK5

Chemical Information

Befotertinib

Befotertinib is under investigation in clinical trial NCT05007938 (Befotertinib and Icotinib in Treatment-naive Patients With Advanced Egfr-mutant Lung Cancer).

CAS Number1835667-63-4
PubChem CID130412842
IUPAC NameN-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(2,2,2-trifluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
Molecular FormulaC29H32F3N7O2
Molecular Weight567.6
XLogP4.8
Topological Polar Surface Area87.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge0
Complexity863
SMILES
CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=CN(C4=CC=CC=C43)CC(F)(F)F)OC
InChI
InChI=1S/C29H32F3N7O2/c1-6-27(40)34-22-15-23(26(41-5)16-25(22)38(4)14-13-37(2)3)36-28-33-12-11-21(35-28)20-17-39(18-29(30,31)32)24-10-8-7-9-19(20)24/h6-12,15-17H,1,13-14,18H2,2-5H3,(H,34,40)(H,33,35,36)
InChIKey
USOCZVZOXKTJTI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Befotertinib
CAS: 1835667-63-4
CID: 130412842
Formula: C29H32F3N7O2
MW: 567.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight567.6
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count11
Exact Mass567.25695778
Monoisotopic Mass567.25695778
Topological Polar Surface Area87.6 Ų
Heavy Atom Count41
Formal Charge0
Complexity863
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

Alternative Products

CatalogName
BA6345-1Befotertinib
E1919-25mgBefotertinib mesylate
HY-137433ABefotertinib (mesylate)
A24177-10Befotertinib mesylate (D-0316 mesylate) 10mg
A24177-5Befotertinib mesylate (D-0316 mesylate) 5mg
A24177-100Befotertinib mesylate (D-0316 mesylate) 100mg
A24177-50Befotertinib mesylate (D-0316 mesylate) 50mg

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