AZD 9291

CAT: 0926-FD58317-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0926-FD58317-01Size:100 mg

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CAS Number

1421373-65-0

Synonyms

N-[2-[[2- (Dimethylamino) ethyl]methylamino]-4-methoxy-5-[[4- (1-methyl-1H-indol-3-yl) -2-pyrimidinyl]amino]phenyl]-2-propenamide

MDL Number

MFCD27988062

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

Molecular Formula

C28H33N7O2

Molecular Weight

499.61 g/mol

Controlled

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 Number	1421373-65-0
PubChem CID	71496458
IUPAC Name	N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
Molecular Formula	C28H33N7O2
Molecular Weight	499.6
XLogP	3.7
Topological Polar Surface Area	87.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Heavy Atom Count	37
Formal Charge	0
Complexity	752

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

CAS: 1421373-65-0

CID: 71496458

Formula: C28H33N7O2

MW: 499.6

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	499.6
XLogP3	3.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	499.26957332
Monoisotopic Mass	499.26957332
Topological Polar Surface Area	87.6 Å²
Heavy Atom Count	37
Formal Charge	0
Complexity	752
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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MBS132733-01	AZD 9291
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TRC-A808075-50MG	AZD 9291(Osimertinib)

AZD 9291

Chemical Information

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