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BSJ-01-175 | BSJ-01-175 : Covalent of CDK12 and CDK13
RATINGS:
Cellular Use: (1 reviews)

In Model Organisms: (1 reviews)
Probe Summary
Selectivity
Potency
In Vivo
Control Compounds
Chemical Information
References
Vendors
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Probe Summary

Targets Biochemical/Biophysical Potency Cellular Potency
CDK12
  • IC50:156 nM
  • IC50:42 nM
  • IC50:160 nM
  • Activity:0.5 to 5 µM
  • INH:0.5 to 5 µM
CDK13
  • IC50:282.6 nM
    Covalent
    up to 1 uM

    Selectivity

    In Vitro Selectivity Assessment
    CDK7

    Gene ID: P50613

    Organism: Homo sapiens

    Family: CMGC Ser/Thr protein kinase family

    Potency: IC50 - 187 nM

    Potency Assay Off-Target:
    KiNativ profiling @ 1 uM of 270 Kinase, only shows >75% inhibition of CRK7/CDK12; CDK9: IC50 - 367 ...

    Potency
    Cellular
    In Vitro

    CDK12

    Mode of Action: Covalent

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1016/j.ejmech.2021.113481

    CDK13

    Mode of Action: Covalent

    Structure-Activity-Relationship data available? Yes

    DOI Reference: 10.1016/j.ejmech.2021.113481

    In Vivo Validations

    Mouse
    Dose: 3 mg/Kg
    Route of delivery: Intravenous
    Plasma half life: 2.2 h
    Systemic clearance: 24.9 mL/min/kg
    Cmax: 1511 ng/mL
    Area Under the Curve:: 1832 h·ng/mL
    Volume of Distribution at Steady-State: 3.9 L/Kg

    DOI Reference: 10.1016/j.ejmech.2021.113481

    Dose: 10 mg/Kg
    Route of delivery: Oral
    Cmax: 272 ng/mL
    Tmax: 2 h
    Area Under the Curve:: 1043 h·ng/mL
    Bioavailability: 17%

    DOI Reference: 10.1016/j.ejmech.2021.113481

    Chemical Information

    Molecular Formula C30H33ClN6O2
    SMILEs CN(C)C/C=C/C(=O)Nc1ccc(O[C@@H]2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1
    InChI InChI=1S/C30H33ClN6O2/c1-37(2)16-6-11-28(38)34-20-12-14-22(15-13-20)39-23-8-5-7-21(17-23)35-30-33-19-26(31)29(36-30)25-18-32-27-10-4-3-9-24(25)27/h3-4,6,9-15,18-19,21,23,32H,5,7-8,16-17H2,1-2H3,(H,34,38)(H,33,35,36)/b11-6+/t21-,23-/m1/s1
    Molecular weight 544.24 Da
    AlogP 0.0
    HBond acceptors 8
    HBond donors 3
    Atoms 72

    References

    Publications

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    Expert Reviews

    by SERP
    (on 22 Dec 2022 )
    Cellular Use Rating
    In Model Organisms
    This probe contains an electrophilic warhead, and global proteomic conjugation studies are necessary before use of this probe (in vitro and in vivo) can be recommended. The study is also critically missing...
    Note: The Chemical Probes Portal only endorses compounds as chemical probes for use as specific and selective modulators of the proposed target if they receive three or more (3-4) stars. Read more about our evaluation criteria