Tucatinib

CAT: 0957-S8362-01Size: 5 mgDry Ice: YesHazardous: No

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CAT#:0957-S8362-01Size:5 mg

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Description

Tucatinib (Irbinitinib, ONT-380, ARRY-380) is an oral, potent, selective, reversible and ATP-competitive small-molecule inhibitor of ErbB-2 (also called HER2) with IC50s of 8 nM and 7 nM for ErbB-2 and p95 HER2, respectively in cell-based assays, showing ~500-fold selective for HER2 vs EGFR. It has potential antineoplastic activity.

CAS Number

937263-43-9

Synonyms

Irbinitinib, ONT-380, ARRY-380

Target

HER2

Activity

Protein Tyrosine Kinase

Molecular Formula

C26H24N8O2

Storage Conditions

2 years -80 in solvent

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 Number	937263-43-9
PubChem CID	51039094
IUPAC Name	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
Molecular Formula	C26H24N8O2
Molecular Weight	480.5
XLogP	4
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Heavy Atom Count	36
Formal Charge	0
Complexity	796

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

CAS: 937263-43-9

CID: 51039094

Formula: C26H24N8O2

MW: 480.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	480.5
XLogP3	4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	6
Exact Mass	480.20222204
Monoisotopic Mass	480.20222204
Topological Polar Surface Area	111 Å²
Heavy Atom Count	36
Formal Charge	0
Complexity	796
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19174992-01	Tucatinib
HY-16069R-01	Tucatinib (Standard)
HY-16069S-01	Tucatinib-d6
TRC-T403401-50MG	Tucatinib-D₆
GTR19191254-01	Tucatinib hemiethanolate
HY-16069A-01	Tucatinib (hemiethanolate)
RM-T435018-01	Tucatinib Impurity 18
RM-T435011-01	Tucatinib Impurity 11

Tucatinib

Chemical Information

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