Products for Research Use Only
RegisterLogin

Osimertinib dimer

CAT: 0013-GTR19263529-02Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19263529-02Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Osimertinibdimer is the dimer of Osimertinib. Osimertinib (AZD9291) is a covalent, orally active, irreversible, and mutation-selective EGFR inhibitor, effectively suppressing L858R (IC50=12 nM) and L858R/T790M (IC50=1 nM) EGFR. It addresses resistance to EGFR inhibitors mediated by the T790M mutation in lung cancer.
CAS Number
2564638-97-5
Field of Research
Pharmacology & Drug Discovery
Smiles
O=C (C=C) NC1=CC (NC=2N=CC=C (N2) C3=CN (C=4C=CC=CC34) C) =C (OC) C=C1N (C) CC[N+] (C) (C) CCC (=O) NC5=CC (NC=6N=CC=C (N6) C7=CN (C=8C=CC=CC78) C) =C (OC) C=C5N (C) CCN (C) C
Molecular Formula
C56H67N14O4
Molecular Weight
1000.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[3-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]anilino]-3-oxopropyl]-[2-[5-methoxy-N-methyl-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]ethyl]-dimethylazanium
CAS Number2564638-97-5
PubChem CID169433048
IUPAC Name[3-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]anilino]-3-oxopropyl]-[2-[5-methoxy-N-methyl-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]ethyl]-dimethylazanium
Molecular FormulaC56H67N14O4+
Molecular Weight1000.2
XLogP6.6
Topological Polar Surface Area172
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count22
Heavy Atom Count74
Formal Charge1
Complexity1780
SMILES
CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)CC[N+](C)(C)CCN(C)C5=CC(=C(C=C5NC(=O)C=C)NC6=NC=CC(=N6)C7=CN(C8=CC=CC=C87)C)OC)N(C)CCN(C)C)OC
InChI
InChI=1S/C56H66N14O4/c1-12-53(71)59-43-31-45(63-55-57-24-21-41(61-55)39-35-68(6)47-19-15-13-17-37(39)47)52(74-11)34-50(43)67(5)28-30-70(8,9)29-23-54(72)60-44-32-46(51(73-10)33-49(44)66(4)27-26-65(2)3)64-56-58-25-22-42(62-56)40-36-69(7)48-20-16-14-18-38(40)48/h12-22,24-25,31-36H,1,23,26-30H2,2-11H3,(H3-,57,58,59,60,61,62,63,64,71,72)/p+1
InChIKey
CCZQHSHYVMTIQS-UHFFFAOYSA-O
Chemical Structure
2D Structure
2D structure of [3-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]anilino]-3-oxopropyl]-[2-[5-methoxy-N-methyl-4-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-2-(prop-2-enoylamino)anilino]ethyl]-dimethylazanium
CAS: 2564638-97-5
CID: 169433048
Formula: C56H67N14O4+
MW: 1000.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1000.2
XLogP36.6
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count13
Rotatable Bond Count22
Exact Mass999.54697167
Monoisotopic Mass999.54697167
Topological Polar Surface Area172 Ų
Heavy Atom Count74
Formal Charge1
Complexity1780
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

Related Products

CatalogName
GTR19173831-01Osimertinib
GTR19177555-01Osimertinib dimesylate
GTR19171064-01Osimertinib mesylate
GTR19339638D-Dimer
GTR19191999-01Ethoxyquin Dimer
GTR19189324BG dimer
GTR19019431-01D-Dimer
GTR19236986-01Elgonica dimer A
GTR19229740-01Ibrutinib dimer
GTR19227915-01Elgonica dimer A

Alternative Products

CatalogName
HY-174293Osimertinib dimer
TRC-D354850-100MGPropanamino-Osimertinib Dimer
RM-O190938-01Osimertinib Dimer Impurity 38
TRC-D325480-50MG3-Oxopropyl Osimertinib Dimer
AR-A07812-01Osimertinib Dimer Impurity 2
AR-A07813-01Osimertinib Dimer Impurity 3
AR-A07811-01Osimertinib Dimer Impurity 1
AR-A07785-01Osimertinib Dimer Impurity 4 (Chloride salt)
TRC-O702285-50MGOsimertinib Trimethylethane-1,2-diamine Dimer Chloride
TRC-A544115-75MGN,N-Dimethyl-3-oxopropan-1-aminium Osimertinib Dimer

Popular Products