| Identification | Back Directory | [Name]
N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-glycine ethyl ester | [CAS]
1401089-31-3 | [Synonyms]
PACMA 31
PACMA 31 >=98% (HPLC)
N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-glycine ethyl ester
Glycine, N-(2,4-dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-, ethyl ester | [Molecular Formula]
C21H22N2O6S | [MDL Number]
MFCD26793891 | [MOL File]
1401089-31-3.mol | [Molecular Weight]
430.47 |
| Chemical Properties | Back Directory | [storage temp. ]
room temp | [solubility ]
DMSO: soluble10mg/mL, clear (warmed) | [form ]
powder | [color ]
white to light brown | [InChI]
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 | [SMILES]
C(OCC)(=O)CNC(=O)C(C1SC=CC=1)N(C1=CC=C(OC)C=C1OC)C(=O)C#C |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS06 | [Signal word ]
Danger | [Hazard statements ]
H301 | [Precautionary statements ]
P301+P310 | [Hazard Codes ]
T | [Risk Statements ]
25 | [Safety Statements ]
45 | [RIDADR ]
UN 2811 6.1 / PGIII | [WGK Germany ]
3 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral |
| Hazard Information | Back Directory | [Uses]
PACMA 31 is a protein disulfide isomerase family A member 1 (PDIA1) inhibitor as promising target for chemotherapy. | [Biochem/physiol Actions]
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. | [in vivo]
PACMA 31 (20-200 mg/kg; i.p.; daily for 62 days) suppresses tumor growth in human ovarian cancer mouse xenografts [1]. | Animal Model: | Athymic mice (bearing OVCAR-8 cells)[1] | | Dosage: | 20-200 mg/kg | | Administration: | I.p., per day for the first 3 wk with 5-d on and 2-d off treatment cycles, and dose was escalated to 40 mg/kg per day for the next 7 d; p.o., the initial dose of 20 mg/kg per day was gradually increased by 20 mg/kg per day with each dose for 3 d before it was orally dosed at 200 mg/kg per day for an additional 32 d, increasing the dose from 20 to 200 mg/kg | | Result: | Compared with the control group, i.p. or per os administration of PACMA 31 significantly inhibited tumor growth by 85% and 65% at day 62, respectively.
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| [storage]
Store at RT |
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