Copanlisib dihydrochloride hydrateProduct ingredient for Copanlisib

Show full entry for Copanlisib
Name
Copanlisib dihydrochloride hydrate
Drug Entry
Copanlisib

Copanlisib is a selective pan-Class I phosphoinositide 3-kinase (PI3K) inhibitor with preferential activity against the alpha and delta isoforms. PI3K, a lipid kinase that activates downstream signalling pathways involved in cell survival and growth, that exists in different isoforms and is often overexpressed in hematological malignancies.2 Copanlisib was granted accelerated approval by the FDA in September 2017 for the treatment of follicular lymphoma.1

See full entry for Copanlisib
Accession Number
DBSALT003474
Structure
Similar Structures
Synonyms
5-PYRIMIDINECARBOXAMIDE, 2-AMINO-N-(2,3-DIHYDRO-7-METHOXY-8-(3-(4-MORPHOLINYL)PROPOXY)IMIDAZO(1,2-C)QUINAZOLIN-5-YL)-, HYDROCHLORIDE, HYDRATE (1:2:4) / ALIQOPA / COPANLISIB DIHYDROCHLORIDE TETRAHYDRATE / COPANLISIB HYDROCHLORIDE TETRAHYDRATE
UNII
W421JK3CPA
CAS Number
1402152-46-8
Weight
Average: 625.51
Monoisotopic: 624.2189656
Chemical Formula
C23H38Cl2N8O8
InChI Key
PRZNRMHJLYLVBJ-UHFFFAOYSA-N
InChI
InChI=1S/C23H28N8O4.2ClH.4H2O/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;;;;;;/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32);2*1H;4*1H2
IUPAC Name
2-amino-N-{7-methoxy-8-[3-(morpholin-4-yl)propoxy]-2H,3H-imidazo[1,2-c]quinazolin-5-yl}pyrimidine-5-carboxamide tetrahydrate dihydrochloride
SMILES
O.O.O.O.Cl.Cl.COC1=C(OCCCN2CCOCC2)C=CC2=C1N=C(NC(=O)C1=CN=C(N)N=C1)N1CCN=C21
Not Available
Predicted Properties
PropertyValueSource
logP0.19Chemaxon
pKa (Strongest Acidic)10.16Chemaxon
pKa (Strongest Basic)7.5Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count11Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area139.79 Å2Chemaxon
Rotatable Bond Count7Chemaxon
Refractivity132.78 m3·mol-1Chemaxon
Polarizability51.76 Å3Chemaxon
Number of Rings5Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon