CAS 171009-07-7

4-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-6-ethylbenzene-1,3-diol

Description:

The chemical substance known as 4-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-6-ethylbenzene-1,3-diol, with the CAS number 171009-07-7, is a complex organic compound characterized by its multi-ring structure and various functional groups. It features a benzodioxin moiety, which contributes to its potential biological activity, and a pyrazole ring that may influence its reactivity and interaction with biological targets. The presence of hydroxyl groups (diol) suggests that the compound may exhibit hydrogen bonding capabilities, potentially enhancing its solubility in polar solvents and affecting its pharmacokinetic properties. Additionally, the ethyl and methyl substituents on the benzene and pyrazole rings, respectively, may impact the compound's steric properties and overall stability. Such structural characteristics often correlate with specific biological activities, making this compound of interest in medicinal chemistry and drug development. Further studies would be necessary to elucidate its precise mechanisms of action and potential applications in therapeutic contexts.

Formula: C₂₀H₂₀N₂O₄

InChI: InChI=1/C20H20N2O4/c1-3-12-8-14(16(24)10-15(12)23)20-19(11(2)21-22-20)13-4-5-17-18(9-13)26-7-6-25-17/h4-5,8-10,23-24H,3,6-7H2,1-2H3,(H,21,22)

InChI key: InChIKey=OWPMENVYXDJDOW-UHFFFAOYSA-N

SMILES: CC1=C(C(=NN1)C2=CC(CC)=C(O)C=C2O)C=3C=C4C(=CC3)OCCO4

Synonyms:

• 1,3-Benzenediol, 4-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-6-ethyl-
• 4-[4-(2,3-Dihydro-1,4-Benzodioxin-6-Yl)-3-Methyl-1H-Pyrazol-5-Yl]-6-Ethylbenzene-1,3-Diol
• 4-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-6-ethyl-1,3-benzenediol
• Cct 018159
• Cct018159
• HSP90 Inhibitor, CCT018159 - CAS 171009-07-7 - Calbiochem

4-[4-(2,3-Dihydro-1,4-benzodioxin-6-yl)-5-methyl-1H-pyrazol-3-yl]-6-ethyl-1,3-benzenediol

CAS: 171009-07-7

Formula: C₂₀H₂₀N₂O₄

Purity: 99%

Color and Shape: Solid

Molecular weight: 352.3838

Ref: IN-DA00784U

CCT018159

CAS: 171009-07-7

CCT018159

Purity: ≥98%

Molecular weight: 352.38g/mol

Ref: 54-BUP02692

HSP90 Inhibitor, CCT018159

CAS: 171009-07-7

HSP90 Inhibitor, CCT018159, is a synthetic chemical compound which targets HSP90, a molecular chaperone involved in the proper folding of proteins. This inhibitor is designed and synthesized through chemical methods based on structure-activity relationship studies. It operates by binding to the ATP-binding domain of HSP90, thereby inhibiting its function. This disruption in HSP90 activity leads to the degradation of client proteins that are crucial for cancer cell survival and proliferation.

Formula: C₂₀H₂₀N₂O₄

Purity: Min. 95%

Molecular weight: 352.38 g/mol

Ref: 3D-WGA00907

CCT018159

CAS: 171009-07-7

CCT018159: ATP-competitive HSP90 inhibitor, IC50 3.2 μM (human), 6.6 μM (yeast), blocks invasion, angiogenesis, induces G1 arrest and apoptosis.

Formula: C₂₀H₂₀N₂O₄

Purity: 98.78% - 99.79%

Color and Shape: Solid

Molecular weight: 352.38

Ref: TM-T21872