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Olmutinib

CAT: 0013-GTR19157929-05Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157929-05Size:10 mg
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Description
Olmutinib is a Novel Epidermal Growth Factor Receptor Tyrosine Kinase InhibitorOlmutinib at 3 μM significantly reversed drug resistance mediated by ABCG2, but not by ABCB1 and ABCC1, by antagonizing the drug efflux function in ABCG2-overexpressing cells. In addition, olmutinib at reversal concentration affected neither the protein expression level nor the localization of ABCG2. The results observed from the accumulation/efflux study of olmutinib showed that olmutinib reversed ABCG2-mediated MDR with an increasing intracellular drug accumulation due to inhibited drug efflux. We also had consistent results with the ATPase assay that olmutinib stimulated ATPase activity of ABCG2 up to 3.5-fold. Additionally, the molecular interaction between olmutinib and ABCG2 was identified by docking simulation. Olmutinib not only interacts directly with ABCG2 but also works as a competitive inhibitor of the transport protein.
CAS Number
1802181-20-9
Product Name Alternative
BI1482694, HM61713
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Smiles
CN1CCN (CC1) c1ccc (cc1) Nc1nc2c (c (n1) Oc1cccc (c1) NC (=O) C=C) scc2
Molecular Formula
C26H26N6O2S?
Molecular Weight
486.6
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

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 Number1802181-20-9
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: 1802181-20-9
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
M11438-01Olmutinib (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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