CAS 877874-85-6

2-(Methylthio)-6-[4-[5-[[3-(trifluoromethyl)phenyl]amino]-1H-1,2,4-triazol-3-yl]phenoxy]-4-pyrimidinamine

Description:

2-(Methylthio)-6-[4-[5-[[3-(trifluoromethyl)phenyl]amino]-1H-1,2,4-triazol-3-yl]phenoxy]-4-pyrimidinamine, with CAS number 877874-85-6, is a synthetic organic compound characterized by its complex molecular structure, which includes multiple functional groups such as a pyrimidine ring, a triazole moiety, and a trifluoromethyl group. This compound typically exhibits properties associated with its heterocyclic components, including potential biological activity, making it of interest in pharmaceutical research. The presence of the methylthio group may enhance its lipophilicity, influencing its solubility and permeability. Additionally, the trifluoromethyl group is known to modify the electronic properties of the molecule, potentially affecting its reactivity and interaction with biological targets. Overall, this compound's unique structure suggests it may have applications in medicinal chemistry, particularly in the development of novel therapeutic agents. However, specific characteristics such as melting point, solubility, and stability would require empirical data for precise evaluation.

Formula: C₂₀H₁₆F₃N₇OS

InChI: InChI=1S/C20H16F3N7OS/c1-32-19-26-15(24)10-16(27-19)31-14-7-5-11(6-8-14)17-28-18(30-29-17)25-13-4-2-3-12(9-13)20(21,22)23/h2-10H,1H3,(H2,24,26,27)(H2,25,28,29,30)

InChI key: InChIKey=CMYHZFCJPORPHY-UHFFFAOYSA-N

SMILES: N(C=1NC(=NN1)C2=CC=C(OC3=NC(SC)=NC(N)=C3)C=C2)C4=CC(C(F)(F)F)=CC=C4

Synonyms:

• 4-Pyrimidinamine, 2-(methylthio)-6-[4-[5-[[3-(trifluoromethyl)phenyl]amino]-1H-1,2,4-triazol-3-yl]phenoxy]-
• 2-(Methylthio)-6-[4-[5-[[3-(trifluoromethyl)phenyl]amino]-4H-1,2,4-triazol-3-yl]phenoxy]pyrimidin-4-amine
• 2-(Methylthio)-6-[4-[5-[[3-(trifluoromethyl)phenyl]amino]-1H-1,2,4-triazol-3-yl]phenoxy]-4-pyrimidinamine
• 2-methylsulfanyl-6-[4-[3-[3-(trifluoromethyl)anilino]-1H-1,2,4-triazol-5-yl]phenoxy]pyrimidin-4-amine
• KG5
• B-Raf,antiangiogenic,KIT,c-Kit,KG5,CD135,Raf kinases,Raf,PDGFR,Cluster of differentiation antigen 135,Platelet-derived growth factor receptor,Fms like tyrosine kinase 3,metastasis,c-Raf,FLT3,PDGFRβ,inhibit,anticancer,phosphorylation,SCFR,Inhibitor,KG 5,CD117,KG-5

KG5

CAS: 877874-85-6

KG5

Purity: ≥98%

Molecular weight: 459.45g/mol

Ref: 54-BUP09358

KG5

CAS: 877874-85-6

KG5 inhibits PDGFRβ, B-Raf, FLT3, KIT, c-Raf; has anticancer and antiangiogenic effects; Kd: 520 nM (PDGFRβ), 300 nM (PDGFRα).

Formula: C₂₀H₁₆F₃N₇OS

Purity: 98.32%

Color and Shape: Solid

Molecular weight: 459.45

Ref: TM-T41003

KG 5

CAS: 877874-85-6

KG 5 is a prodrug that is converted to the active form pergolide mesylate in the body. It is used to treat Parkinson's disease and bowel disease. KG 5 has been shown to have cardiotoxic effects in animals, including cardiac, neuronal death, and cardiac effects. The drug also has toxicity studies on polymerase chain reaction (PCR) and dextran sulfate mice, which showed that KG 5 induces polymerase chain reaction inhibition by binding to the enzyme DNA-dependent RNA polymerase. In addition, KG 5 has shown activity against galleria mellonella at doses as low as 0.01 mg/kg. This activity may be due to its ability to inhibit nonsteroidal anti-inflammatory drugs (NSAIDs) through competitive inhibition of cyclooxygenases COX-1 and COX-2.

Formula: C₂₀H₁₆F₃N₇OS

Purity: Min. 95%

Molecular weight: 459.4 g/mol

Ref: 3D-CKB87485

KG5

CAS: 877874-85-6

Formula: C₂₀H₁₆F₃N₇OS

Purity: 98%

Molecular weight: 459.4475

Ref: IN-DA01E5MP