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CHEBI:231412 - pacritinib citrate

ChEBI IDCHEBI:231412
ChEBI Namepacritinib citrate
Stars
DefinitionThe citrate salt of pacritinib.
Last Modified10 May 2024
SubmitterAdnan
DownloadsMolfile
FormulaC28H32N4O3.C6H8O7
Net Charge0
Average Mass664.712
Monoisotopic Mass664.27444
SMILESC1=C/COCc2cc(ccc2OCCN2CCCC2)Nc2nccc(n2)-c2cccc(c2)COC/1.O=C(O)CC(O)(CC(=O)O)C(=O)O
InChIInChI=1S/C28H32N4O3.C6H8O7/c1-2-13-32(12-1)14-17-35-27-9-8-25-19-24(27)21-34-16-4-3-15-33-20-22-6-5-7-23(18-22)26-10-11-29-28(30-25)31-26;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11,18-19H,1-2,12-17,20-21H2,(H,29,30,31);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)/b4-3+;
InChIKeyBAHHBHSHSRTKNK-BJILWQEISA-N
Roles Classification
Biological Role:
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
pacritinib citrate (CHEBI:231412) has part pacritinib(1+) (CHEBI:231411)
pacritinib citrate (CHEBI:231412) has role antineoplastic agent (CHEBI:35610)
pacritinib citrate (CHEBI:231412) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
pacritinib citrate (CHEBI:231412) is a citrate salt (CHEBI:50744)
IUPAC Name 
(16E)-11-[2-(pyrrolidin-1-yl)ethoxy]-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-decaene 2-hydroxypropane-1,2,3-tricarboxylate
Synonyms  Source
pacritinib (citrate)ChEBI
(2E,16E)-11-[2-(pyrrolidin-1-yl)ethoxy]-14,19-dioxa-5,7,27- triazatetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2,4,6,8,10,12(26),16,21,23-decaene citrateChEBI
SB-1518 citrateChEBI
SB1518 citrateChEBI
SB 1518 citrateChEBI
Brand Name  Source
VonjoChEBI
Registry NumbersSources
CAS:1228923-42-9ChEBI
Citations