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Oritinib

CAT: 0013-GTR19171858-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171858-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Oritinib (SH-1028) is a potent and selective EGFR inhibitor, showing low nanomolar IC50 values against wild-type and various mutant forms, including the resistant T790M variant. It is a research tool for investigating targeted therapies in non-small cell lung cancer, with utility in both in vitro biochemical assays and in vivo preclinical models.
CAS Number
2035089-28-0
Product Name Alternative
Inhibit, non-small cell lung cancer, Irreversible, mutant-selective, EGFR, EGFR (L858R), EGFR (L858R/T790M), EGFR (L861Q), EGFR (wt), EGFR TKI, EGFR-T790M, Epidermal growth factor receptor, ErbB-1, Inhibitor, HER1, Oritinib, third-generation, pharmacodynamics, SH1028, SH-1028, SH 1028
Field of Research
Cardiovascular Research, Signal Transduction
Purity
98.40% (May vary between batches)
Solubility
DMSO:120 mg/mL (222.36 mM)
Smiles
COc1cc (N (C) CCN (C) C) c (NC (=O) C=C) cc1Nc1nccc (n1) -c1c2CCCCn2c2ccccc12
Molecular Formula
C31H37N7O2
Molecular Weight
539.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Oritinib
CAS Number2035089-28-0
PubChem CID122666966
IUPAC NameN-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-(6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
Molecular FormulaC31H37N7O2
Molecular Weight539.7
XLogP4.4
Topological Polar Surface Area87.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count40
Formal Charge0
Complexity843
SMILES
CN(C)CCN(C)C1=CC(=C(C=C1NC(=O)C=C)NC2=NC=CC(=N2)C3=C4CCCCN4C5=CC=CC=C53)OC
InChI
InChI=1S/C31H37N7O2/c1-6-29(39)33-23-19-24(28(40-5)20-27(23)37(4)18-17-36(2)3)35-31-32-15-14-22(34-31)30-21-11-7-8-12-25(21)38-16-10-9-13-26(30)38/h6-8,11-12,14-15,19-20H,1,9-10,13,16-18H2,2-5H3,(H,33,39)(H,32,34,35)
InChIKey
PLUKVDOZEJBBIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Oritinib
CAS: 2035089-28-0
CID: 122666966
Formula: C31H37N7O2
MW: 539.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight539.7
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass539.30087345
Monoisotopic Mass539.30087345
Topological Polar Surface Area87.6 Ų
Heavy Atom Count40
Formal Charge0
Complexity843
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
BA6351-1Oritinib
HY-139920AOritinib (mesylate)
T39670Oritinib mesylate

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