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Olmutinib

CAT: 0127-BUP11438-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP11438-05Size:100 mg
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CAS Number
1353550-13-6
Synonyms
HM61713, BI 1482694, BI 1482694, HM61713
Purity
=98%
Smiles
CN1CCN(CC1)c1ccc(Nc2nc(Oc3cccc(NC(=O)C=C)c3)c3sccc3n2)cc1

Chemical Information

Olmutinib

Olmutinib is an orally active epidermal growth factor receptor inhibitor used in the treatment of T790M mutation positive non-small cell lung cancer. It is available under the brand name Olita made by Hanmi Pharmaceuticals. Olmutinib was developed by Hanmi Pharmaceuticals and Boehringer Ingelheim. Olmutinib recieved breakthrough therapy designation in the United States in December 2015 and was approved for use in Korea in May 2016.

CAS Number1353550-13-6
PubChem CID54758501
IUPAC NameN-[3-[2-[4-(4-methylpiperazin-1-yl)anilino]thieno[3,2-d]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
Molecular FormulaC26H26N6O2S
Molecular Weight486.6
XLogP4.7
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity712
SMILES
CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC4=C(C(=N3)OC5=CC=CC(=C5)NC(=O)C=C)SC=C4
InChI
InChI=1S/C26H26N6O2S/c1-3-23(33)27-19-5-4-6-21(17-19)34-25-24-22(11-16-35-24)29-26(30-25)28-18-7-9-20(10-8-18)32-14-12-31(2)13-15-32/h3-11,16-17H,1,12-15H2,2H3,(H,27,33)(H,28,29,30)
InChIKey
FDMQDKQUTRLUBU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Olmutinib
CAS: 1353550-13-6
CID: 54758501
Formula: C26H26N6O2S
MW: 486.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.6
XLogP34.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass486.18379527
Monoisotopic Mass486.18379527
Topological Polar Surface Area111 Ų
Heavy Atom Count35
Formal Charge0
Complexity712
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

Alternative Products

CatalogName
MBS3601438-01Olmutinib
GTR19163767-01Olmutinib (b)
MBS5812670Olmutinib hydrochloride
MBS3841294-01Olmutinib (HM71224)
HY-19730AOlmutinib (hydrochloride)
A15976-100Olmutinib (HM61713) 100mg
A15976-50Olmutinib (HM71224) 50mg
C18152Olmutinib (BI 1482694)
HY-168343Ga-DOTA-Olmutinib
A15976-200Olmutinib (HM61713) 200mg

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