🌎 Ship to: United States
Toggle Nav
Cart
Search
Same-day shipping on all in-stock items.
Advanced Search
Quick Order SDS CoA
Menu
Account
Settings
྾
224,000+ research products · Triple ISO certified · COA & SDS available for every product · Same-day shipping on in-stock items

PACMA 31 - ≥98% , CAS No.1401089-31-3

CAS: 1401089-31-3 Cat. No.: P287528 Molecular Weight: 430.47 EC Number: 806-007-2 PubChem CID: 66555902
COA
PACMA 31 - ≥98% CAS No(1401089-31-3) by Aladdin Scientific
AVAILABLE TO ORDER
GRADE & PURITY ≥98%
Synonyms
N-(2,4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycylglycineethylester | MS-27651 | PACMA 31, >=98% (HPLC) | 1401089-31-3 | Ethyl 2-(2-(N-(2,4-dimethoxyphenyl)propiolamido)-2-(thiophen-2-yl)acetamido)acetate | SCHEMBL14788388 | EC-000.2549 |
Storage
Room temperature
Shipped In
Normal
★
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
P287528-1mg
3
$67.90
5mg
P287528-5mg
3
$152.90
10mg
P287528-10mg
3
$235.90
25mg
P287528-25mg
3
$507.90
50mg
P287528-50mg
2
$814.90
100mg
P287528-100mg
1
$1,250.90
Enter a quantity for the sizes you want to add.
Bulk / Custom
♡ Wish List ⇅ Compare ⎙ Print page
SDS
Safety data
COA
Certificate
DS
Datasheet
SP
Spec sheet
Overview Specifications Names and Identifiers Documentation Advanced Data Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews
🧪

Why this grade

≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

PACMA 31 is an irreversible, protein disulfide isomerase (PDI) inhibitor with an IC50 of 10 μM. PACMA 31 forms a covalent bond with the active site cysteines of PDI. PACMA 31 shows tumor targeting ability and significantly suppresses ovarian tumor growth without causing toxicity to normal tissues. PACMA 31 is a click chemistry reagent, it contains an Alkyne group and can undergo copper-catalyzed azide-alkyne cycloaddition (CuAAc) with molecules containing Azide groups.

Specifications

Synonyms
N-(2, 4-Dimethoxyphenyl)-N-(1-oxo-2-propyn-1-yl)-2-(2-thienyl)glycylglycineethylester | MS-27651 | PACMA 31, >=98% (HPLC) | 1401089-31-3 | Ethyl 2-(2-(N-(2, 4-dimethoxyphenyl)propiolamido)-2-(thiophen-2-yl)acetamido)acetate | SCHEMBL14788388 | EC-000.2549 |
Specifications & Purity
≥98%
Biochemical and Physiological Mechanisms
Irreversible protein disulfide isomerase (PDI) inhibitor; inhibits growth of ovarian cancer cells. Suppresses tumor growth in a mouse xenograph model of human ovarian cancer.
Storage
Room temperature
Shipped In
Normal
Purity
≥98%
Names and Identifiers
Pubchem Sid504771830
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504771830
Canonical SmilesCCOC(=O)CNC(=O)C(C1=CC=CS1)N(C2=C(C=C(C=C2)OC)OC)C(=O)C#C
IUPAC Nameethyl 2-[[2-(2,4-dimethoxy-N-prop-2-ynoylanilino)-2-thiophen-2-ylacetyl]amino]acetate
InChIKeyAHOOZADJPNUFOQ-UHFFFAOYSA-N
INCHI1S/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)
Isomeric SMILES CCOC(=O)CNC(=O)C(C1=CC=CS1)N(C2=C(C=C(C=C2)OC)OC)C(=O)C#C
WGK Germany 3
PubChem CID 66555902
Molecular Weight 430.47

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Associated Targets(Human)
A 172 (535 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Huh-7 (12904 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
U-87 MG (3946 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
D54 cell line (10 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
P4HB Tchem Protein disulfide-isomerase (716 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Mmp2 Matrix metalloproteinase-2 (12 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot NumberCertificate TypeDateItem
G2410490Certificate of AnalysisMar 22, 2024 P287528
G2410494Certificate of AnalysisMar 22, 2024 P287528
G2410495Certificate of AnalysisMar 22, 2024 P287528
G2410497Certificate of AnalysisMar 22, 2024 P287528
G2410500Certificate of AnalysisMar 22, 2024 P287528
G2410501Certificate of AnalysisMar 22, 2024 P287528
G2410504Certificate of AnalysisMar 22, 2024 P287528
G2410505Certificate of AnalysisMar 22, 2024 P287528
G2410506Certificate of AnalysisMar 22, 2024 P287528
G2410508Certificate of AnalysisMar 22, 2024 P287528
G2410511Certificate of AnalysisMar 22, 2024 P287528
G2410514Certificate of AnalysisMar 22, 2024 P287528

Show more ⌵

Chemical and Physical Properties
SolubilitySolvent:DMSO, Max Conc. mg/mL: 43.05, Max Conc. mM: 100
Molecular Weight430.500 g/mol
XLogP32.700
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass430.12 Da
Monoisotopic Mass430.12 Da
Topological Polar Surface Area122.000 Ų
Heavy Atom Count30
Formal Charge0
Complexity663.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

Customer Reviews

We use cookies to ensure the website functions properly and, where permitted, to improve your experience. You can manage your preferences at any time in Settings. Learn more in our Cookie Policy.

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.

Privacy Policy Terms of Use Cookie Policy Terms and Conditions of Sale Sales Policy
Products are supplied to verified businesses, institutions, and qualified professionals for research and development use only. Not for use in humans, animals, diagnosis, or therapy.
Copyright © 2023–present Aladdin Scientific Corp. All rights reserved.