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Pacritinib citrate , Tyrosine-protein kinase JAK2 inhibitor, CAS No.1228923-42-9, Tyrosine-protein kinase JAK2 inhibitor
Basic Description
Synonyms
Pacritinib citrate | UNII-VJ2PH4NXX7 | Pacritinib citrate [WHO-DD] | Vonjo | Epjevy | SB-1518 CITRATE | CHEMBL5095049 | VJ2PH4NXX7 | 14,19-Dioxa-5,7,27-triazatetracyclo(19.3.1.12,6.18,12)heptacosa-1(25),2,4,6(27),8,10,12(26),16,21,23-decaene, 11-(2-(1-pyr
Action Type
INHIBITOR
Mechanism of action
Tyrosine-protein kinase JAK2 inhibitor
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic acids and derivatives
Class
Carboxylic acids and derivatives
Subclass
Tricarboxylic acids and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Tricarboxylic acids and derivatives
Alternative Parents
Phenol ethers Alkyl aryl ethers Alpha hydroxy acids and derivatives N-alkylpyrrolidines Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Tertiary alcohols Trialkylamines Oxacyclic compounds Dialkyl ethers Carboxylic acids Azacyclic compounds Secondary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Tricarboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Alpha-hydroxy acid - Hydroxy acid - Pyrimidine - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Tertiary alcohol - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid - Dialkyl ether - Ether - Oxacycle - Azacycle - Secondary amine - Organoheterocyclic compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Amine - Carbonyl group - Alcohol - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
External Descriptors
Not available
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Names and Identifiers
IUPAC Name
2-hydroxypropane-1,2,3-tricarboxylic acid;(16E)-11-(2-pyrrolidin-1-ylethoxy)-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(24),2(27),3,5,8(26),9,11,16,21(25),22-decaene
INCHI
InChI=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+;
InChIKey
BAHHBHSHSRTKNK-BJILWQEISA-N
Smiles
C1CCN(C1)CCOC2=C3COCC=CCOCC4=CC(=CC=C4)C5=NC(=NC=C5)NC(=C3)C=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Isomeric SMILES
C1CCN(C1)CCOC2=C3COC/C=C/COCC4=CC(=CC=C4)C5=NC(=NC=C5)NC(=C3)C=C2.C(C(=O)O)C(CC(=O)O)(C(=O)O)O
Molecular Weight
664.7
Reaxy-Rn
20404913
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20404913&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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