Pacritinib
(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
Molecular Identity
Pacritinib
(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
PubChem CID: 46216796
Pacritinib is an azamacrocycle with formula C28H32N4O3. It is a Janus kinase inhibitor and its citrate salt is approved for the treatment of intermediate or high risk, primary or secondary myelofibrosis. It has a role as an antineoplastic agent, an anti-inflammatory agent, an apoptosis inducer and an EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor. It is a member of benzenes, a cyclic ether, a member of pyrrolidines and an azamacrocycle. It is a conjugate base of a pacritinib(1+).
2D Structure
Properties
C28H32N4O3
Molecular Formula
472.60
Molecular Weight
g/mol
472.2474
Exact Mass
Da
3.8
XLogP
Drug-like (Lipinski: < 5)
68.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
7
H-Bond Acceptors
644
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
Pacritinib937272-79-2SB1518SB-1518pacritinibumONX-0803SB 1518G22N65IL3O11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaeneDTXSID80104567914,19-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-pyrrolidinyl)ethoxy)-, (16E)-11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo(19.3.1.1(2,6).1(8,12))heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaeneRefChem:58092Oral JAK2 Inhibitor SB1518DTXCID201527601
Data from PubChem (NCBI)
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