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AZD-9291

CAT: 1410-M11762-08Size: 1 gDry Ice: NoHazardous: No
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CAT#:1410-M11762-08Size:1 g
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Description
A potent, selective, third-generation irreversible inhibitor of mutant EGFR with IC50s of 1/12/5 nM for L858R-T790M/L858R/L861Q respectively.
CAS Number
1421373-65-0
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
499.6073
Molecular Formula
C28H33N7O2
Notes
Research use only, not for human use.
Receptor
EGFR (Exon19deletion) |EGFR (L858R/T790M)

Chemical Information

Osimertinib

Osimertinib is a member of the class of aminopyrimidines that is 4-(1-methylindol-3-yl)pyrimidin-2-amine in which one of the amino hydrogens is replaced by a 2-methoxy-4-[2-(dimethylamino)ethyl](methyl)amino-5-acrylamidophenyl group. Used (as the mesylate salt) for treatment of EGFR T790M mutation positive non-small cell lung cancer. It has a role as an antineoplastic agent and an epidermal growth factor receptor antagonist. It is a secondary carboxamide, a member of acrylamides, a member of indoles, a monomethoxybenzene, an aminopyrimidine, a substituted aniline, a secondary amino compound, a tertiary amino compound and a biaryl. It is a conjugate base of an osimertinib(1+).

CAS Number1421373-65-0
PubChem CID71496458
IUPAC NameN-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
Molecular FormulaC28H33N7O2
Molecular Weight499.6
XLogP3.7
Topological Polar Surface Area87.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity752
SMILES
CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC
InChI
InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)
InChIKey
DUYJMQONPNNFPI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Osimertinib
CAS: 1421373-65-0
CID: 71496458
Formula: C28H33N7O2
MW: 499.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight499.6
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass499.26957332
Monoisotopic Mass499.26957332
Topological Polar Surface Area87.6 Ų
Heavy Atom Count37
Formal Charge0
Complexity752
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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MBS132733-01AZD 9291
A2580-01AZD-9291
474070AZD 9291 mesylate
441992-01AZD-9291 Mesylate
A13681-50AZD-9291 50mg
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