ChemicalBook > CAS DataBase List > N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-glycine ethyl ester

N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-glycine ethyl ester

Product Name
N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-glycine ethyl ester
CAS No.
1401089-31-3
Chemical Name
N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-glycine ethyl ester
Synonyms
PACMA 31;PACMA 31 >=98% (HPLC);PACMA 31, 10 mM in DMSO;Ethyl 2-(2-(N-(2,4-dimethoxyphenyl)propiolamido)-2-(thiophen-2-yl)acetamido)acetate;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;bond,tumor,ovarian,athymic,PACMA31,inhibit,toxicity,colony,PACMA-31,mice,PACMA 31,oral,Inhibitor,covalent
CBNumber
CB52750694
Molecular Formula
C21H22N2O6S
Formula Weight
430.47
MOL File
1401089-31-3.mol
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N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-glycine ethyl ester Property

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
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Safety

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
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H301Toxic if swalloed

Precautionary statements

P301+P310IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
SML0838
Product name
PACMA 31
Purity
≥98% (HPLC)
Packaging
5mg
Price
$141
Updated
2026/03/19
Sigma-Aldrich
Product number
SML0838
Product name
PACMA 31
Purity
≥98% (HPLC)
Packaging
25mg
Price
$532
Updated
2026/03/19
Tocris
Product number
5116
Product name
PACMA 31
Purity
≥99%(HPLC)
Packaging
10
Price
$87
Updated
2021/12/16
TRC
Product number
P132083
Product name
PACMA 31
Packaging
1mg
Price
$60
Updated
2021/12/16
TRC
Product number
P132083
Product name
PACMA 31
Packaging
5mg
Price
$235
Updated
2021/12/16
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N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-glycine ethyl ester Chemical Properties,Usage,Production

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.

storage

Store at RT

N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-glycine ethyl ester Preparation Products And Raw materials

Raw materials

Preparation Products

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N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-glycine ethyl ester Suppliers

China 43 United Kingdom 1 United States 5 USA 1 Global 50
ChemeGen
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025-84699383-8003;025-846993838003-8003 18013301593;18013301590
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Bide Pharmatech Ltd.
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400-400-164-7117 18317119277
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Sichuan Yuehe Bio-Pharmaceutical Co.,Ltd
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Sigma-Aldrich
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Shanghai YuanYe Biotechnology Co., Ltd.
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Shanghai Han-Xiang Chemical Co., Ltd.
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15971444841
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amber@biochempartner.com
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Shanghai Hongye Biotechnology Co. Ltd
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TargetMol Chemicals Inc.
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marketing@targetmol.com
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United States
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1401089-31-3, N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-glycine ethyl esterRelated Search:


  • N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-glycine ethyl ester
  • PACMA 31
  • Glycine, N-(2,4-dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycyl-, ethyl ester
  • PACMA 31 >=98% (HPLC)
  • bond,tumor,ovarian,athymic,PACMA31,inhibit,toxicity,colony,PACMA-31,mice,PACMA 31,oral,Inhibitor,covalent
  • Ethyl 2-(2-(N-(2,4-dimethoxyphenyl)propiolamido)-2-(thiophen-2-yl)acetamido)acetate
  • PACMA 31, 10 mM in DMSO
  • 1401089-31-3