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EGFR-IN-3 5mg

CAT: 0628-A15847-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A15847-5Size:5 mg
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CAS Number
1660963-42-7

Chemical Information

Olafertinib

Olafertinib is an orally available third-generation and selective inhibitor of certain epidermal growth factor receptor (EGFR) activating mutations, including the resistance mutation T790M, and the L858R and del 19 mutations, with potential antineoplastic activity. Upon administration, olafertinib specifically and covalently binds to and inhibits selective EGFR mutations, with particularly high selectivity against the T790M mutation, which prevents EGFR mutant-mediated signaling and leads to cell death in EGFR mutant-expressing tumor cells. Compared to some other EGFR inhibitors, olafertinib may have therapeutic benefits in tumors with T790M-mediated drug resistance. This agent shows minimal activity against wild-type EGFR (WT EGFR), and does not cause dose-limiting toxicities that occur during the use of non-selective EGFR inhibitors, which also inhibit WT EGFR. EGFR, a receptor tyrosine kinase mutated in many tumor cell types, plays a key role in tumor cell proliferation and tumor vascularization.

CAS Number1660963-42-7
PubChem CID117909640
IUPAC NameN-[3-[2-[2,3-difluoro-4-[4-(2-hydroxyethyl)piperazin-1-yl]anilino]quinazolin-8-yl]phenyl]prop-2-enamide
Molecular FormulaC29H28F2N6O2
Molecular Weight530.6
XLogP4.3
Topological Polar Surface Area93.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Heavy Atom Count39
Formal Charge0
Complexity815
SMILES
C=CC(=O)NC1=CC=CC(=C1)C2=CC=CC3=CN=C(N=C32)NC4=C(C(=C(C=C4)N5CCN(CC5)CCO)F)F
InChI
InChI=1S/C29H28F2N6O2/c1-2-25(39)33-21-7-3-5-19(17-21)22-8-4-6-20-18-32-29(35-28(20)22)34-23-9-10-24(27(31)26(23)30)37-13-11-36(12-14-37)15-16-38/h2-10,17-18,38H,1,11-16H2,(H,33,39)(H,32,34,35)
InChIKey
IDRGFNPZDVBSSE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Olafertinib
CAS: 1660963-42-7
CID: 117909640
Formula: C29H28F2N6O2
MW: 530.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.6
XLogP34.3
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count9
Rotatable Bond Count8
Exact Mass530.22418048
Monoisotopic Mass530.22418048
Topological Polar Surface Area93.6 Ų
Heavy Atom Count39
Formal Charge0
Complexity815
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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Alternative Products

CatalogName
MBS5806400EGFR-IN-3
HY-163860EGFR-TK-IN-3
T201562-01EGFR/VEGFR2-IN-3
HY-156115EGFR/CDK2-IN-3
T79394-01ALK/EGFR-IN-3
T78850-01EGFR/BRAFV600E-IN-3
GTR19205345-01Mutated EGFR-IN-3
HY-115952EGFR/HER2-IN-3

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