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Tuxobertinib (BDTX-189)

CAT: 0957-S9786-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S9786-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2414572-47-5
Target
EGFR
Applications
Protein Tyrosine Kinase
Smiles
ClC1=C (OCC2=NC=CC=C2) C=CC (=C1) NC3=NC=NC4=C3C=C (NC (=O) C=C) C (=C4) OCCN5CCOCC5
Molecular Formula
C29H29ClN6O4
Additionnal Information
Tuxobertinib (BDTX-189) is a potent and selective inhibitor of allosteric EGFR and HER2 oncogenic mutations with Kd of 0.2 nM, 0.76 nM, 13 nM and 1.2 nM for EGFR, HER2, BLK and RIPK2, reapectively. BDTX-189 exhibits anticancer activity.
Storage Conditions
3 years -20°C powder

Chemical Information

Tuxobertinib

Tuxobertinib is a small molecule drug. The usage of the INN stem '-ertinib' in the name indicates that Tuxobertinib is a epidermal growth factor receptor (EGFR) inhibitor. Tuxobertinib is under investigation in clinical trial NCT04209465 (A Study of BDTX-189, an Orally Available Allosteric ErbB Inhibitor, in Patients With Advanced Solid Tumors.). Tuxobertinib has a monoisotopic molecular weight of 560.19 Da.

CAS Number2414572-47-5
PubChem CID154824631
IUPAC NameN-[4-[3-chloro-4-(pyridin-2-ylmethoxy)anilino]-7-(2-morpholin-4-ylethoxy)quinazolin-6-yl]prop-2-enamide
Molecular FormulaC29H29ClN6O4
Molecular Weight561.0
XLogP3.9
Topological Polar Surface Area111
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Heavy Atom Count40
Formal Charge0
Complexity804
SMILES
C=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)OCC4=CC=CC=N4)Cl)OCCN5CCOCC5
InChI
InChI=1S/C29H29ClN6O4/c1-2-28(37)35-25-16-22-24(17-27(25)39-14-11-36-9-12-38-13-10-36)32-19-33-29(22)34-20-6-7-26(23(30)15-20)40-18-21-5-3-4-8-31-21/h2-8,15-17,19H,1,9-14,18H2,(H,35,37)(H,32,33,34)
InChIKey
HIBPKFXWOPYJPZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Tuxobertinib
CAS: 2414572-47-5
CID: 154824631
Formula: C29H29ClN6O4
MW: 561.0
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight561.0
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count11
Exact Mass560.1938811
Monoisotopic Mass560.1938811
Topological Polar Surface Area111 Ų
Heavy Atom Count40
Formal Charge0
Complexity804
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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C14469-01Tuxobertinib (BDTX-189)
A22306-5Tuxobertinib (BDTX-189) 5mg
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A22306-25Tuxobertinib (BDTX-189) 25mg
A22306-10Tuxobertinib (BDTX-189) 10mg
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