2. Cell Cycle/DNA Damage Metabolic Enzyme/Protease
  3. PDI
  4. PACMA 31

PACMA 31 is an irreversible, orally active 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.

For research use only. We do not sell to patients.

PACMA 31 Chemical Structure

PACMA 31 Chemical Structure

CAS No. : 1401089-31-3

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10 mM * 1 mL in DMSO
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Based on 1 publication(s) in Google Scholar

PACMA 31 Related Antibodies

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  • Biological Activity

  • Purity & Documentation

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Description

PACMA 31 is an irreversible, orally active 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[1]. 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.

IC50 & Target

IC50: 10 μM (protein disulfide isomerase)[1]
In Vitro

PACMA 31 (0-10 μM; 24 hours) significantly inhibits colony formation in OVCAR-8 cells in a dose-dependent manner[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

PACMA 31 Related Antibodies
In Vivo

PACMA 31 (20-200 mg/kg; i.p.; daily for 62 days) suppresses tumor growth in human ovarian cancer mouse xenografts [1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

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.
Molecular Weight

430.47

Formula

C21H22N2O6S
CAS No.
Appearance

Solid

Color

White to off-white

SMILES

COC1=CC=C(N(C(C2=CC=CS2)C(NCC(OCC)=O)=O)C(C#C)=O)C(OC)=C1
Shipping

Room temperature in continental US; may vary elsewhere.
Storage
Powder -20°C 3 years
4°C 2 years
In solvent -80°C 6 months
-20°C 1 month
Solvent & Solubility
In Vitro: 

DMSO : 100 mg/mL (232.30 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions
Concentration Solvent Mass 1 mg 5 mg 10 mg
1 mM 2.3230 mL 11.6152 mL 23.2304 mL
5 mM 0.4646 mL 2.3230 mL 4.6461 mL
View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

  • Molarity Calculator

  • Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Mass
=
Concentration
×
Volume
×
Molecular Weight *

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

Concentration (start)

C1

×
Volume (start)

V1

=
Concentration (final)

C2

×
Volume (final)

V2

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

  • Protocol 1

    Add each solvent one by one:  10% DMSO    40% PEG300    5% Tween-80    45% Saline

    Solubility: ≥ 2.5 mg/mL (5.81 mM); Clear solution

    This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown).

    Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.

    Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
  • Protocol 2

    Add each solvent one by one:  10% DMSO    90% Corn Oil

    Solubility: ≥ 2.5 mg/mL (5.81 mM); Clear solution

    This protocol yields a clear solution of ≥ 2.5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.

    Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (25.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator
Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

g

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.
Please enter your animal formula composition:
%
DMSO +
% 
+
%
Tween-80 +
%
Saline
Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.
The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).
Calculation results:
Working solution concentration: mg/mL
Method for preparing stock solution: mg drug dissolved in μL  DMSO (Stock solution concentration: mg/mL).
The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).
Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.
 If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.
Purity & Documentation

Purity: 99.75%

SDS (420 KB)

COA (256 KB) HNMR (320 KB) RP-HPLC (247 KB) LCMS (233 KB) Elemental Analysis Report (114 KB)

Handling Instructions (2659 KB)
References

Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Optional Solvent Concentration Solvent Mass 1 mg 5 mg 10 mg 25 mg
DMSO 1 mM 2.3230 mL 11.6152 mL 23.2304 mL 58.0761 mL
5 mM 0.4646 mL 2.3230 mL 4.6461 mL 11.6152 mL
10 mM 0.2323 mL 1.1615 mL 2.3230 mL 5.8076 mL
15 mM 0.1549 mL 0.7743 mL 1.5487 mL 3.8717 mL
20 mM 0.1162 mL 0.5808 mL 1.1615 mL 2.9038 mL
25 mM 0.0929 mL 0.4646 mL 0.9292 mL 2.3230 mL
30 mM 0.0774 mL 0.3872 mL 0.7743 mL 1.9359 mL
40 mM 0.0581 mL 0.2904 mL 0.5808 mL 1.4519 mL
50 mM 0.0465 mL 0.2323 mL 0.4646 mL 1.1615 mL
60 mM 0.0387 mL 0.1936 mL 0.3872 mL 0.9679 mL
80 mM 0.0290 mL 0.1452 mL 0.2904 mL 0.7260 mL
100 mM 0.0232 mL 0.1162 mL 0.2323 mL 0.5808 mL
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PACMA 31 Related Classifications

Help & FAQs
  • Do most proteins show cross-species activity?

    Species cross-reactivity must be investigated individually for each product. Many human cytokines will produce a nice response in mouse cell lines, and many mouse proteins will show activity on human cells. Other proteins may have a lower specific activity when used in the opposite species.

Keywords:

PACMA 311401089-31-3PACMA31PACMA-31PDIProtein Disulfide IsomerasesoralcovalentbondovariantumortoxicitycolonyathymicmiceInhibitorinhibitorinhibit

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