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ChemSpider 2D Image | Pacritinib | C28H32N4O3

Pacritinib

  • Molecular FormulaC28H32N4O3
  • Average mass472.579 Da
  • Monoisotopic mass472.247437 Da
  • ChemSpider ID30689933

  • Double-bond stereo - Double-bond stereo

More details:

Date of deprecation: 09:09, Mar 7, 2022
Reason for deprecation: Deprecate record: Poor depiction – correct record for pacritinib is here: https://www.chemspider.com/Chemical-Structure.28518965.html

If you believe this record was deprecated in error, please use the Comment on this record button to contact the ChemSpider team.

Common reasons for deprecation are:
  • Chemically impossible structures (eg. incorrect valence atoms)
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

(16Z)-11-[2-(1-Pyrrolidinyl)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-decaen [German] [ACD/IUPAC Name]
(16Z)-11-[2-(1-Pyrrolidinyl)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 [ACD/IUPAC Name]
(16Z)-11-[2-(1-Pyrrolidinyl)éthoxy]-14,19-dioxa-5,7,27-triazatétracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2(27),3,5,8(26),9,11,16,21,23-décaène [French] [ACD/IUPAC Name]
(6E,16Z)-11-[2-(1-Pyrrolidinyl)ethoxy]-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6,8(26),9,11,16,21,23-decaen [German] [ACD/IUPAC Name]
(6E,16Z)-11-[2-(1-Pyrrolidinyl)ethoxy]-14,19-dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6,8(26),9,11,16,21,23-decaene [ACD/IUPAC Name]
(6E,16Z)-11-[2-(1-Pyrrolidinyl)éthoxy]-14,19-dioxa-5,7,27-triazatétracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6,8(26),9,11,16,21,23-décaène [French] [ACD/IUPAC Name]
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-pyrrolidinyl)ethoxy]-, (16Z)- [ACD/Index Name]
14,19-Dioxa-5,7,27-triazatetracyclo[19.3.1.12,6.18,12]heptacosa-1(25),2,4,6,8,10,12(26),16,21,23-decaene, 11-[2-(1-pyrrolidinyl)ethoxy]-, (6E,16Z)- [ACD/Index Name]
Pacritinib [INN] [USAN] [Wiki]
(16E)-11-[2-(1-Pyrrolidinyl)ethoxy]-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
More...
  • Experimental Physico-chemical Properties
  • Miscellaneous

    • Bio Activity:

      FLT3 JAK MedChem Express HY-16379
      JAK MedChem Express HY-16379
      JAK/STAT Signaling MedChem Express HY-16379
      JAK/STAT Signaling; Protein Tyrosine Kinase/RTK; MedChem Express HY-16379
      Pacritinib (SB1518) is a potent and selective JAK2 (IC50 = 23 and 19 nM for JAK2WT and JAK2V617F, respectively) and FLT3 (IC(50) = 22 nM) inhibitor with selectivity against JAK1 and JAK3 (IC50= 1280 a nd 520 nM, respectively). MedChem Express
      Pacritinib (SB1518) is a potent and selective JAK2 (IC50 = 23 and 19 nM for JAK2WT and JAK2V617F, respectively) and FLT3 (IC(50) = 22 nM) inhibitor with selectivity against JAK1 and JAK3 (IC50= 1280 and 520 nM, respectively).; IC50 Value: 23 nM (JAK2 wt); 22 nM (FLT3) [1]; Target: JAK2; FLT3; in vitro: SB1518 shows potent effects on cellular JAK/STAT pathways, inhibiting tyrosine phosphorylation on JAK2 (Y221) and downstream STATs. MedChem Express HY-16379
      Pacritinib (SB1518) is a potent and selective JAK2 (IC50 = 23 and 19 nM for JAK2WT and JAK2V617F, respectively) and FLT3 (IC(50) = 22 nM) inhibitor with selectivity against JAK1 and JAK3 (IC50= 1280 and 520 nM, respectively).;IC50 Value: 23 nM (JAK2 wt); 22 nM (FLT3) [1];Target: JAK2; FLT3;In vitro: SB1518 shows potent effects on cellular JAK/STAT pathways, inhibiting tyrosine phosphorylation on JAK2 (Y221) and downstream STATs. As a consequence SB1518 has potent anti-proliferative effects on myeloid and lymphoid cell lines driven by mutant or wild-type JAK2 or FLT3, resulting from cell cycle arrest and induction of apoptosis [2].;In vivo: SB1518 has favorable pharmacokinetic properties after oral dosing in mice, is well tolerated and significantly reduces splenomegaly and hepatomegaly in a JAK2(V617F)-driven disease model. SB1518 dose-dependently inhibits intra-tumor JAK2/STAT5 signaling, leading to tumor growth inhibition in a subcutaneous model generated with SET-2 cells deriv MedChem Express HY-16379

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 711.4±70.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.3 mmHg at 25°C
Enthalpy of Vaporization: 104.0±3.0 kJ/mol
Flash Point: 384.0±35.7 °C
Index of Refraction: 1.574
Molar Refractivity: 135.1±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.23
ACD/LogD (pH 5.5): 1.01
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 3.39
ACD/LogD (pH 7.4): 1.93
ACD/BCF (pH 7.4): 5.25
ACD/KOC (pH 7.4): 28.13
Polar Surface Area: 69 Å2
Polarizability: 53.6±0.5 10-24cm3
Surface Tension: 44.9±3.0 dyne/cm
Molar Volume: 409.7±3.0 cm3

Click to predict properties on the Chemicalize site


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