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AZD-9291

CAT: 0607-B1104-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B1104-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Mutated forms EGFR inhibitor
CAS Number
1421373-65-0
Sequence
osimertinib
Field of Research
JAK STAT Signaling EGFR Tyrosine Kinase EGFR
Purity
0.9954
Solubility
≥24.98 mg/mL in DMSO; insoluble in H2O; ≥8.09 mg/mL in EtOH with ultrasonic
Smiles
CN1C=C(C2=NC(NC3=C(OC)C=C(N(CCN(C)C)C)C(NC(C=C)=O)=C3)=NC=C2)C4=C1C=CC=C4
Molecular Formula
C28H33N7O2
Molecular Weight
499.61
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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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