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Olmutinib (b)

CAT: 0013-GTR19163767-07Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163767-07Size:50 mg
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Description
Olmutinib (HM61713, BI-1482694) is a pontent and T790M-specific third-generation EGFR inhibitor for treatment of NSCLC.Lung Cancer Phase 2 Clinical (In Vitro) :Olmutinib potently inhibits EGFR in HCC827 cells expressing EGFRDEL19 (IC50=9.2 nM) and H1975 cells expressing EGFRL858R/T790M (IC50=10 nM) . In contrast, the IC50 of olmutinib against cells expressing EGFRWT is 2225 nM.
CAS Number
1353550-13-6
Product Name Alternative
HM-61713 | BI-1482694
Field of Research
Pharmacology & Drug Discovery
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 44 mg/mL
Smiles
CN1CCN (CC1) C2=CC=C (C=C2) NC3=NC4=C (C (=N3) OC5=CC=CC (=C5) NC (=O) C=C) SC=C4
Molecular Formula
C26H26N6O2S
Molecular Weight
486.5887
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
2-Propenamide, N-[3-[[2-[[4- (4-methyl-1-piperazinyl) phenyl]amino]thieno[3,2-d]pyrimidin-4-yl]oxy]phenyl]-

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

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MBS5812670Olmutinib hydrochloride
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