| Field | Specification |
|---|---|
| Target | |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C14H14N6O3S2 |
| SMILES | |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
3-Methylthienyl-carbonyl-JNJ-7706621 is a potent, selective cyclin-dependent kinase (CDK) inhibitor, with IC50 values of 6.4 nM against CDK1/cyclin B and 2 nM against CDK2/cyclin A. It also potently inhibits GSK-3 (IC50 = 0.041 μM) and shows modest potency against CDK4, VEGF-R2, and FGF-R2 (IC50 values of 0.11, 0.13, and 0.22 μM, respectively). It can be used for cancer research[1]. It has the molecular formula C14H14N6O3S2 and a molecular weight of 378.43 g/mol.
Physical & Chemical Properties
| CAS Number | 443798-09-2 |
|---|---|
| Molecular Formula | C14H14N6O3S2 |
| Molecular Weight | 378.43 g/mol |
| SMILES | O=S(C1=CC=C(NC2=NN(C(C3=C(C)C=CS3)=O)C(N)=N2)C=C1)(N)=O |
| Target | CDK2/cyclinA, CDK1/cyclinB, GSK3, CDK4, VEGFR2, FGFR2 |
| Signaling Pathway | Cell Cycle/DNA Damage; Stem Cell/Wnt; PI3K/Akt/mTOR; Protein Tyrosine Kinase/RTK |
| Storage | Please store the product under the recommended conditions in the Certificate of Analysis. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Biological Activity
IC50 & Target[1]
|
CDK2/cyclinA 2 nM (IC50) |
CDK1/cyclinB 6.4 nM (IC50) |
GSK3 41 nM (IC50) |
CDK4 0.11 μM (IC50) |
VEGFR2 0.13 μM (IC50) |
FGFR2 0.22 μM (IC50) |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with your institution's chemical hygiene plan.
In Vitro
3-Methylthienyl-carbonyl-JNJ-7706621 shows potent activity against GSK-3 (IC50=0.041 μM) and modest activity against CDK4, VEGF-R2, and FGF-R2 (IC50=0.11, 0.13, 0.22 μM, respectively)[1]. Cell proliferation is inhibited by 3-Methylthienyl-carbonyl-JNJ-7706621, with IC50s of 0.28 μM (HeLa), 0.25 μM (HCT-116), 0.45 μM (A375), 0.75 μM (SK-OV-3), 0.59 μM (MDA-MB-231) and 0.12 μM (PC-3)[1].
In Vivo
In nude mice, 3-Methylthienyl-carbonyl-JNJ-7706621 (75-125 mg/kg; i.p. once daily for 32 days) inhibits A375 human melanoma tumor growth and prolongs survival[1]. After oral administration (nude mouse 30, rat 30, dog 10 mg/kg), 3-Methylthienyl-carbonyl-JNJ-7706621 shows oral bioavailability of 2% in nude mouse, 8% in rat, and 63.3% in dog; its terminal elimination half-life is 1.70 h in nude mouse, 2.20 h in rat, and 2.36 h in dog; and its Cmax is 0.21 μM in nude mouse, 2.5 μM in rat, and 4.58 μM in dog[1]. Following intravenous administration (nude mouse 3, rat 3 and dog 1 mg/kg), 3-Methylthienyl-carbonyl-JNJ-7706621 shows half-lives for terminal elimination of 0.51 h in nude mouse, 0.64 h in rat, and 3.89 h in dog; Cmax values of 6.4 μM (nude mouse), 23.2 μM (rat), and 2.19 μM (dog); and AUC values of 3.2 μM•h (nude mouse), 11.4 μM•h (rat), and 2.45 μM•h (dog)[1].
| Animal Model | Male athymic mice were implanted with A375 human melanoma cells[1] |
|---|---|
| Dosage | 75, 100, 125 mg/kg |
| Administration | I.p. once daily for 32 days |
| Result | Reduced the tumor growth. Survival was increased by about 3 weeks compared with vector alone. |
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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