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Irbinitinib

CAT: 0127-OR1024281-02Size: 250 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1024281-02Size:250 mg
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CAS Number
937263-43-9
Synonyms
6-N- (4,4-dimethyl-5H-1,3-oxazol-2-yl) -4-N-[3-methyl-4- ([1,2,4]triazolo[1,5-a]pyridin-7-yloxy) phenyl]quinazoline-4,6-diamine
Purity
98%
Smiles
CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC4=NC(CO4)(C)C)OC5=CC6=NC=NN6C=C5

Chemical Information

Tucatinib

Tucatinib is a kinase inhibitor drug used with [trastuzumab] and [capecitabine] in the treatment of unresectable or metastatic HER-2 positive breast cancer. It was developed by Seattle Genetics and approved by the FDA on April 17, 2020. Tucatinib is a promising new treatment for patients with metastatic breast cancer who have not responded adequately to other chemotherapy regimens.

CAS Number937263-43-9
PubChem CID51039094
IUPAC Name6-N-(4,4-dimethyl-5H-1,3-oxazol-2-yl)-4-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazoline-4,6-diamine
Molecular FormulaC26H24N8O2
Molecular Weight480.5
XLogP4
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count36
Formal Charge0
Complexity796
SMILES
CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)NC4=NC(CO4)(C)C)OC5=CC6=NC=NN6C=C5
InChI
InChI=1S/C26H24N8O2/c1-16-10-17(5-7-22(16)36-19-8-9-34-23(12-19)28-15-30-34)31-24-20-11-18(4-6-21(20)27-14-29-24)32-25-33-26(2,3)13-35-25/h4-12,14-15H,13H2,1-3H3,(H,32,33)(H,27,29,31)
InChIKey
SDEAXTCZPQIFQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tucatinib
CAS: 937263-43-9
CID: 51039094
Formula: C26H24N8O2
MW: 480.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.5
XLogP34
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass480.20222204
Monoisotopic Mass480.20222204
Topological Polar Surface Area111 Ų
Heavy Atom Count36
Formal Charge0
Complexity796
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
RM-I500001-01Irbinitinib
MBS3841650-01ARRY-380 (Irbinitinib)
MBS130795-01Irbinitinib(ARRY-380; ONT-380)
RM-I500003-01Irbinitinib Impurity 3
RM-I500002-01Irbinitinib Impurity 2
A16413-500Tucatinib (ARRY-380, Irbinitinib) 500mg
A16413-50Tucatinib (ARRY-380, Irbinitinib) 50mg
AR-T06190-01Tucatinib-d6 (Irbinitinib-d6)
A16413-1000Tucatinib (ARRY-380, Irbinitinib) 1g
A16413-10Tucatinib (ARRY-380, Irbinitinib) 10mg

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