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CHEBI:173081 - copanlisib dihydrochloride
| Formula | C23H28N8O4.2HCl |
| Net Charge | 0 |
| Average Mass | 553.451 |
| Monoisotopic Mass | 552.17671 |
| SMILES | COc1c(OCCCN2CCOCC2)ccc2c1N=C(NC(=O)c1cnc(N)nc1)N1CCN=C21.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;;/h3-4,13-14H,2,5-12H2,1H3,(H2,24,26,27)(H,28,29,32);2*1H |
| InChIKey | STGQPVQAAFJJFX-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Biological Roles: | EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor An inhibitor of phosphatidylinositol 3-kinase, EC 2.7.1.137, a family of related enzymes capable of phosphorylating the 3 position hydroxy group of the inositol ring of a phosphatidylinositol. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. |
| Application: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| copanlisib dihydrochloride (CHEBI:173081) has part copanlisib (CHEBI:173077) |
| copanlisib dihydrochloride (CHEBI:173081) has role antineoplastic agent (CHEBI:35610) |
| copanlisib dihydrochloride (CHEBI:173081) has role apoptosis inducer (CHEBI:68495) |
| copanlisib dihydrochloride (CHEBI:173081) has role EC 2.7.1.137 (phosphatidylinositol 3-kinase) inhibitor (CHEBI:50914) |
| copanlisib dihydrochloride (CHEBI:173081) is a hydrochloride (CHEBI:36807) |
| IUPAC Name |
|---|
| 2-amino-N-{7-methoxy-8-[3-(morpholin-4-yl)propoxy]-2,3-dihydroimidazo[1,2-c]quinazolin-5-yl}pyrimidine-5-carboxamide dihydrochloride |
| Synonyms | Source |
|---|---|
| copanlisib hydrochloride | ChemIDplus |
| copanlisib HCl | DrugBank |
| copanlisib 2HCl | ChEBI |
| BAY-80-6946 dihydrochloride | ChemIDplus |
| BAY 80-6946 dihydrochloride | ChemIDplus |
| BAY-84-1236 | DrugBank |
| Manual Xrefs | Databases |
|---|---|
| DBSALT002581 | DrugBank |
| D10797 | KEGG DRUG |
| Registry Numbers | Sources |
|---|---|
| CAS:1402152-13-9 | ChemIDplus |
| Citations |
|---|