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Chemical Structure| 827022-33-3 Chemical Structure| 827022-33-3

Structure of Palbociclib isethionate
CAS No.: 827022-33-3

Chemical Structure| 827022-33-3

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Palbociclib isethionate is a highly specific inhibitor of Cdk4 (IC50=11 nM) and Cdk6 (IC50=16 nM), having no activity against a panel of 36 additional protein kinases.

Synonyms: PD 0332991 isethionate

4.5 *For Research Use Only !

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Product Details of Palbociclib isethionate

CAS No. :827022-33-3
Formula : C26H35N7O6S
M.W : 573.66
SMILES Code : O=C1C(C(C)=O)=C(C)C2=CN=C(NC3=NC=C(N4CCNCC4)C=C3)N=C2N1C5CCCC5.OCCS(=O)(O)=O
Synonyms :
PD 0332991 isethionate
MDL No. :MFCD22666589
InChI Key :LYYVFHRFIJKPOV-UHFFFAOYSA-N
Pubchem ID :11478676

Safety of Palbociclib isethionate

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H301
Precautionary Statements:P264-P270-P301+P310-P321-P330-P405-P501
Class:6.1
UN#:2811
Packing Group:

Related Pathways of Palbociclib isethionate

Hedgehog

Isoform Comparison

Biological Activity

Target
  • CDK4

    CDK4/CyclinD1, IC50:11 nM

    CDK4/CyclinD3, IC50:9 nM

  • CDK6

    CDK6/CyclinD2, IC50:15 nM

In Vitro:

Cell Line
Concentration Treated Time Description References
IB115 cells 1-4 μM 72 h Reduced Rb phosphorylation and induced apoptosis J Hematol Oncol. 2017 Jun 19;10(1):123.
IB111 cells 1-4 μM 72 h Reduced Rb phosphorylation and induced apoptosis J Hematol Oncol. 2017 Jun 19;10(1):123.
Huh7 and skHep1 cells 0.5 μM 14 days Palbociclib induced cellular senescence Gut. 2017 Jul;66(7):1286-1296.
MCF7 cells 500 nM 4 h Palbociclib competes with XO44 for CDK4 binding but not CDK2 Science. 2019 Dec 13;366(6471):eaaw2106.
MCF7 cells 2 μM 30 min XO44 labels endogenous CDK4 and CDK2 to study ATP site occupancy Science. 2019 Dec 13;366(6471):eaaw2106.
HepG2 2.66 μM 72 h To evaluate the anti-proliferative activity of compound 11k, results showed significant inhibition on HepG2 cells Drug Des Devel Ther. 2022 Apr 11;16:1083-1097.
HCT116 2.07 μM 72 h To evaluate the anti-proliferative activity of compound 11k, results showed significant inhibition on HCT116 cells Drug Des Devel Ther. 2022 Apr 11;16:1083-1097.
MDA-MB-468 1.34 μM 72 h To evaluate the anti-proliferative activity of compound 11k, results showed significant inhibition on MDA-MB-468 cells Drug Des Devel Ther. 2022 Apr 11;16:1083-1097.
H460 1.20 μM 72 h To evaluate the anti-proliferative activity of compound 11k, results showed significant inhibition on H460 cells Drug Des Devel Ther. 2022 Apr 11;16:1083-1097.
PC9 5 μM 48 h To evaluate the effect of GAA combined with CDK4/6 inhibitors, the results showed that GAA significantly reduced CDK6 expression and enhanced the sensitivity of CDK4/6 inhibitors Nat Commun. 2023 Jul 14;14(1):4212.
A549 5 μM 48 h To evaluate the effect of GAA combined with CDK4/6 inhibitors, the results showed that GAA significantly reduced CDK6 expression and enhanced the sensitivity of CDK4/6 inhibitors Nat Commun. 2023 Jul 14;14(1):4212.
human liver cancer cell lines 1 μM 3 days Palbociclib suppressed cell proliferation by promoting a reversible cell cycle arrest Gut. 2017 Jul;66(7):1286-1296.

In Vivo:

Species
Animal Model
Administration Dosage Frequency Description References
Nude mice A549 cell subcutaneous tumor model Oral 100 mg/kg Once daily, 5 times/week To evaluate the anti-tumor effect of GAA combined with CDK4/6 inhibitors in vivo, the results showed that the combination treatment significantly inhibited tumor growth and prolonged the survival of mice Nat Commun. 2023 Jul 14;14(1):4212.
Mice Genetically engineered mouse model of liver cancer Oral 100 mg/kg Daily for 1 week Palbociclib significantly reduced tumour growth, either alone or in combination with sorafenib Gut. 2017 Jul;66(7):1286-1296.
Mice DDLPS xenograft model Oral gavage 130 mg/kg Five times per week for three weeks Evaluated the effect of Palbociclib alone on tumor growth, showing significant prolongation of progression-free survival J Hematol Oncol. 2017 Jun 19;10(1):123.

Protocol

Bio Calculators
Preparing Stock Solutions 1mg 5mg 10mg

1 mM

5 mM

10 mM

1.74mL

0.35mL

0.17mL

8.72mL

1.74mL

0.87mL

17.43mL

3.49mL

1.74mL

Dissolving Methods
Please choose the appropriate dissolution scheme according to your animal administration guide.For the following dissolution schemes, clear stock solution should be prepared according to in vitro experiments, and then cosolvent should be added in turn:

in order to ensure the reliability of the experimental results, the clarified stock solution can be properly preserved according to the storage conditions; The working fluid for in vivo experiment is recommended to be prepared now and used on the same day;

The percentage shown in front of the following solvent refers to the volume ratio of the solvent in the final solution; If precipitation or precipitation occurs in the preparation process, it can be assisted by heating and/or ultrasound.
Protocol 1

References

 

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