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Copanlisib dihydrochloride

CAT: 1568-C03222-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:1568-C03222-100mgSize:100 mg
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CAS Number
1402152-13-9
Synonyms
BAY 80-6946 dihydrochloride
Target
PI3K
Applications
PI3K/Akt/mTOR
Molecular Formula
C23H28N8O4.2ClH
Additionnal Information
Copanlisib dihydrochloride (BAY 80-6946 dihydrochloride) is a selective and potent inhibitor of pan-class I PI3K. It significantly inhibits the catalytic activity of class I PI3K isoforms α, β, γ, and δ with IC50 of 0.5, 3.7, 6.4, and 0.7 nM, respectively. BAY 80-6946 exhibits potent antitumor activity in multiple cell-line–derived and patient-derived xenograft tumor models.

Chemical Information

Copanlisib Dihydrochloride

Copanlisib dihydrochloride is the dihydrochloride salt of copanlisib. It has a role as an antineoplastic agent, an EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor and an apoptosis inducer. It contains a copanlisib.

CAS Number1402152-13-9
PubChem CID135565785
IUPAC Name2-amino-N-[7-methoxy-8-(3-morpholin-4-ylpropoxy)-2,3-dihydro-1H-imidazo[1,2-c]quinazolin-5-ylidene]pyrimidine-5-carboxamide;dihydrochloride
Molecular FormulaC23H30Cl2N8O4
Molecular Weight553.4
Topological Polar Surface Area140
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Heavy Atom Count37
Formal Charge0
Complexity974
SMILES
COC1=C(C=CC2=C3NCCN3C(=NC(=O)C4=CN=C(N=C4)N)N=C21)OCCCN5CCOCC5.Cl.Cl
InChI
InChI=1S/C23H28N8O4.2ClH/c1-33-19-17(35-10-2-6-30-8-11-34-12-9-30)4-3-16-18(19)28-23(31-7-5-25-20(16)31)29-21(32)15-13-26-22(24)27-14-15;;/h3-4,13-14,25H,2,5-12H2,1H3,(H2,24,26,27);2*1H
InChIKey
KWVVOPDWPMORCQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Copanlisib Dihydrochloride
CAS: 1402152-13-9
CID: 135565785
Formula: C23H30Cl2N8O4
MW: 553.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight553.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count9
Rotatable Bond Count7
Exact Mass552.1767069
Monoisotopic Mass552.1767069
Topological Polar Surface Area140 Ų
Heavy Atom Count37
Formal Charge0
Complexity974
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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