| Identification | Back Directory | [Name]
SY-5609 | [CAS]
2417302-07-7 | [Synonyms]
SY-5609
SYC-5609
CDK7-IN-3
Lurasidone Impurity 94
SY-5609 (Synonyms: CDK7-IN-3) | [Molecular Formula]
C23H26F3N6OP | [MDL Number]
MFCD34471213 | [MOL File]
2417302-07-7.mol | [Molecular Weight]
490.46 |
| Chemical Properties | Back Directory | [Boiling point ]
751.4±70.0 °C(Predicted) | [density ]
1.36±0.1 g/cm3(Predicted) | [storage temp. ]
4°C, stored under nitrogen | [solubility ]
DMSO : 40 mg/mL (81.56 mM; Need ultrasonic) | [form ]
Solid | [pka]
11.05±0.30(Predicted) | [color ]
White to light yellow | [InChIKey]
JDJOUBVVSQDIRC-AWEZNQCLSA-N | [SMILES]
N1C2=C(C=CC(C#N)=C2P(C)(C)=O)C(C2C(C(F)(F)F)=CN=C(N[C@H]3CCC(C)(C)NC3)N=2)=C1 |
| Hazard Information | Back Directory | [Uses]
SY-5609 (CDK7-IN-3) is an orally active, highly selective, noncovalent CDK7 inhibitor with a KD of 0.065 nM. SY-5609 shows poor inhibition on CDK2 (Ki=2600 nM), CDK9 (Ki=960 nM), CDK12 (Ki=870 nM). SY-5609 induces apoptosis in tumor cells and has antitumor activity[1][2]. | [in vivo]
SY-5609 (2 mg/kg/day; orally; for 21 days) induces tumor regression over the 21-day dosing period[1].
Daily oral dosing of 2 mg/kg SY-5609 in mice provided a plasma exposure of 261.28 ng h/mL with a Cmax of 50.67 ng/mL (103 nM) and an elimination half-life of 3.33 h[1].
| Animal Model: | Six-to-eight-week-old Balb/c nude female mice with HCC70 cell line[1] | | Dosage: | 2 mg/kg | | Administration: | Orally; daily; for 21 days | | Result: | Induced tumor regression over the 21-day dosing period and was well tolerated. No regrowth of tumor was observed out to day 28.
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| [IC 50]
CDK7: 0.065 nM (Kd); CDK2: 2600 nM (Ki); CDK9: 960 nM (Ki); CDK12: 870 nM (Ki) | [References]
[1] Jason J Marineau, et al. Discovery of SY-5609: A Selective, Noncovalent Inhibitor of CDK7. J Med Chem. 2021 Nov 2. DOI:10.1021/acs.jmedchem.1c01171
[2] Michael Bradley, et al. Inhibitors of cyclin-dependent kinase 7 (cdk7). WO2020093011A1. |
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