SML0838
PACMA 31
≥98% (HPLC)
Synonym(s):
N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-glycine ethyl ester
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About This Item
Empirical Formula (Hill Notation):
C21H22N2O6S
CAS Number:
Molecular Weight:
430.47
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
Quality Level
assay
≥98% (HPLC)
form
powder
color
white to light brown
solubility
DMSO: 10 mg/mL, clear (warmed)
storage temp.
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)
InChI key
AHOOZADJPNUFOQ-UHFFFAOYSA-N
Biochem/physiol Actions
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.
PACMA 31 is an orally bioavailable, selective inhibitor (IC50 = 10 μM) of protein disulfide isomerase (PDI).
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 3 Oral
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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Synthesis and Experimental Validation of New PDI Inhibitors with Antiproliferative Activity
Badolato M, et al.
Journal of Chemistry, 2017, 1-10 (2017)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| SML0838-5MG | 04061837107245 |
| SML0838-25MG | 04061833066652 |