SML0838

PACMA 31

≥98% (HPLC)

• Synonym(e): N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-glycine ethyl ester
• Empirische Formel (Hill-System): C₂₁H₂₂N₂O₆S
• CAS-Nummer: 1401089-31-3
• Molekulargewicht: 430.47
• MDL-Nummer: MFCD26793891
• UNSPSC-Code: 12352200
• PubChem Substanz-ID: 329825605
• NACRES: NA.77

Eigenschaften

• Qualitätsniveau: 100
• Assay: ≥98% (HPLC)
• Form: powder
• Farbe: white to light brown
• Löslichkeit: DMSO: 10 mg/mL, clear (warmed)
• Lagertemp.: room temp
• SMILES String: C#CC(N(C(C1=CC=CS1)C(NCC(OCC)=O)=O)C2=CC=C(OC)C=C2OC)=O
• InChI: 1S/C21H22N2O6S/c1-5-18(24)23(15-10-9-14(27-3)12-16(15)28-4)20(17-8-7-11-30-17)21(26)22-13-19(25)29-6-2/h1,7-12,20H,6,13H2,2-4H3,(H,22,26)
• InChIKey: AHOOZADJPNUFOQ-UHFFFAOYSA-N

Beschreibung

Biochem./physiol. Wirkung

Both in vivo and in vitro studies reveal that PACMA 31 possesses anti-tumor function, especially observed in ovarian cancer.

PACMA 31 is an orally bioavailable, selective inhibitor (IC₅₀ = 10 μM) of protein disulfide isomerase (PDI), an endoplasmic reticulum protein that regulates oxidative protein folding by catalyzing the breakage and reformation of disulfide bonds. PDI is upregulated in ovarian, and several other cancers. PACMA 31 dose dependently inhibits proliferation of OVCAR-8 in culture and in a tumor xenograft model.

Sicherheitshinweise

• Piktogramme: GHS06
• Signalwort: Danger
• H-Sätze: H301
• P-Sätze: P264 - P270 - P301 + P310 - P405 - P501
• Gefahreneinstufungen: Acute Tox. 3 Oral
• Lagerklassenschlüssel: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• WGK: WGK 3
• Flammpunkt (°F): Not applicable
• Flammpunkt (°C): Not applicable