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ONO-4059 hydrochloride

CAT: 1410-M11864-01Size: 2 mgDry Ice: NoHazardous: No
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CAT#:1410-M11864-01Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, selective, third-generation irreversible inhibitor of mutant EGFR.
CAS Number
1439901-97-9
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
490.9415
Molecular Formula
C25H23ClN6O3
Notes
Research use only, not for human use.
Receptor
BTK

Chemical Information

Tirabrutinib hydrochloride

Tirabrutinib Hydrochloride is the hydrochloride salt form of tirabrutinib, an orally available formulation containing an inhibitor of Bruton agammaglobulinemia tyrosine kinase (BTK), with potential antineoplastic activity. Upon administration, tirabrutinib covalently binds to BTK within B cells, thereby preventing B cell receptor signaling and impeding B cell development. As a result, this agent may inhibit the proliferation of B cell malignancies. BTK, a cytoplasmic tyrosine kinase and member of the Tec family of kinases, plays an important role in B lymphocyte development, activation, signaling, proliferation and survival.

CAS Number1439901-97-9
PubChem CID71571562
IUPAC Name6-amino-9-[(3R)-1-but-2-ynoylpyrrolidin-3-yl]-7-(4-phenoxyphenyl)purin-8-one;hydrochloride
Molecular FormulaC25H23ClN6O3
Molecular Weight490.9
Topological Polar Surface Area105
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count35
Formal Charge0
Complexity825
SMILES
CC#CC(=O)N1CC[C@H](C1)N2C3=NC=NC(=C3N(C2=O)C4=CC=C(C=C4)OC5=CC=CC=C5)N.Cl
InChI
InChI=1S/C25H22N6O3.ClH/c1-2-6-21(32)29-14-13-18(15-29)31-24-22(23(26)27-16-28-24)30(25(31)33)17-9-11-20(12-10-17)34-19-7-4-3-5-8-19;/h3-5,7-12,16,18H,13-15H2,1H3,(H2,26,27,28);1H/t18-;/m1./s1
InChIKey
UQYDCIJFACDXSG-GMUIIQOCSA-N
Chemical Structure
2D Structure
2D structure of Tirabrutinib hydrochloride
CAS: 1439901-97-9
CID: 71571562
Formula: C25H23ClN6O3
MW: 490.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight490.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass490.1520163
Monoisotopic Mass490.1520163
Topological Polar Surface Area105 Ų
Heavy Atom Count35
Formal Charge0
Complexity825
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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