loading...| Preferred Name |
ixazomib |
|
| Synonyms |
N-[(1R)-1-borono-3-methylbutyl]-N(2)-(2,5-dichlorobenzoyl)glycinamide MLN2238 ixazomib MLN 2238 MLN-2238 |
|
| Definitions |
A glycine derivative that is the amide obtained by formal condensation of the carboxy group of N-(2,5-dichlorobenzoyl)glycine with the amino group of [(1R)-1-amino-3-methylbutyl]boronic acid. The active metabolite of ixazomib citrate, it is used in combination therapy for treatment of multiple myeloma. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_90942 |
|
| charge |
0 |
|
| database_cross_reference |
PMID:25456369 PMID:25919767 PMID:24467634 PMID:26141494 LINCS:LSM-4944 PMID:26667773 PMID:24239172 PMID:24292417 Drug_Central:5067 Reaxys:18302358 PMID:26634271 PMID:25124778 PMID:25832873 Wikipedia:Ixazomib PMID:24920586 PMID:25777468 PMID:26588946 PMID:23514361 KEGG:D10130 PMID:25302026 CAS:1072833-77-2 PMID:24904120 PMID:26337806 PMID:26709701 PMID:26275080 PMID:25325301 PMID:25377318 |
|
| definition |
A glycine derivative that is the amide obtained by formal condensation of the carboxy group of N-(2,5-dichlorobenzoyl)glycine with the amino group of [(1R)-1-amino-3-methylbutyl]boronic acid. The active metabolite of ixazomib citrate, it is used in combination therapy for treatment of multiple myeloma. |
|
| formula |
C14H19BCl2N2O4 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_49103 http://purl.obolibrary.org/obo/CHEBI_52726 |
|
| has_exact_synonym |
N-[(1R)-1-borono-3-methylbutyl]-N(2)-(2,5-dichlorobenzoyl)glycinamide |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
MLN2238 ixazomib MLN 2238 MLN-2238 |
|
| id |
CHEBI:90942 |
|
| in_subset | ||
| inchi |
InChI=1S/C14H19BCl2N2O4/c1-8(2)5-12(15(22)23)19-13(20)7-18-14(21)10-6-9(16)3-4-11(10)17/h3-4,6,8,12,22-23H,5,7H2,1-2H3,(H,18,21)(H,19,20)/t12-/m0/s1 |
|
| inchikey |
MXAYKZJJDUDWDS-LBPRGKRZSA-N |
|
| label |
ixazomib |
|
| mass |
361.029 |
|
| monoisotopicmass |
360.08149 |
|
| notation |
CHEBI:90942 |
|
| prefLabel |
ixazomib |
|
| smiles |
C(NCC(=O)N[C@@H](CC(C)C)B(O)O)(C1=CC(=CC=C1Cl)Cl)=O |
|
| treeView |
http://purl.obolibrary.org/obo/CHEBI_24373 http://purl.obolibrary.org/obo/CHEBI_22702 |
|
| subClassOf |
http://purl.obolibrary.org/obo/CHEBI_24373 http://purl.obolibrary.org/obo/CHEBI_22702 |