SML0838

PACMA 31

≥98% (HPLC)

• Synonyme(s) : N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-glycine ethyl ester
• Formule empirique (notation de Hill): C₂₁H₂₂N₂O₆S
• Numéro CAS: 1401089-31-3
• Poids moléculaire : 430.47
• Numéro MDL: MFCD26793891
• Code UNSPSC : 12352200
• ID de substance PubChem : 329825605
• Nomenclature NACRES : NA.77

Propriétés

• Niveau de qualité: 100
• Pureté: ≥98% (HPLC)
• Forme: powder
• Couleur: white to light brown
• Solubilité: DMSO: 10 mg/mL, clear (warmed)
• Température de stockage: room temp
• Chaîne SMILES: 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)
• Clé InChI: AHOOZADJPNUFOQ-UHFFFAOYSA-N

Description

Actions biochimiques/physiologiques

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.

Informations sur la sécurité

• Pictogrammes: GHS06
• Mention d'avertissement: Danger
• Mentions de danger: H301
• Conseils de prudence: P264 - P270 - P301 + P310 - P405 - P501
• Classification des risques: Acute Tox. 3 Oral
• Code de la classe de stockage: 6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
• Classe de danger pour l'eau (WGK): WGK 3
• Point d'éclair (°F): Not applicable
• Point d'éclair (°C): Not applicable