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CCF642 PDI inhibitor

Name: CCF642
Brand: Selleck Chemicals
SKU: S8281
Availability: InStock
Rating: 5 (2 reviews)

Cat.No.S8281

CCF642 (AC1LYELL) is a novel PDI-inhibiting compound with antimyeloma activity.

Chemical Structure

Molecular Weight: 378.45

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Quality Control

Batch: S828101 DMSO]15 mg/mL]false]Water]Insoluble]false]Ethanol]Insoluble]false Purity: 98.18%

Cited in Nature Medicine for its top-tier quality
COA
NMR
SDS
Datasheet

98.18

Related Targets	HSP JNK Antioxidant ROS eIF PERK IRE1 PKR ASK ATF-6
Other PDI Inhibitors	LOC14 ML359

Solubility

In vitro
Batch:

DMSO : 15 mg/mL (39.63 mM)
(Moisture-contaminated DMSO may reduce solubility. Use fresh, anhydrous DMSO.)

Water : Insoluble

Ethanol : Insoluble

Molarity Calculator

Mass	Concentration	Volume	Molecular Weight
Mass value Mass unit	Concentration value Concentration unit	Volume value Volume unit	Molecular weight (g/mol)

Dilution Calculator Molecular Weight Calculator

In vivo batch selection In vivo Batch:
Homogeneous suspension	CMC-NA	≥5mg/ml	Taking the 1 mL working solution as an example, add 5 mg of this product to 1 ml of CMC-Na solution, mix evenly to obtain a homogeneous suspension with a final concentration of 5 mg/ml.

In vivo Formulation Calculator (Clear solution)

Step 1: Enter information below (Recommended: An additional animal making an allowance for loss during the experiment)

Dosage: mg/kg

Average weight of animals: g

Dosing volume per animal: μL

Number of animals:

Step 2: Enter the in vivo formulation (This is only the calculator, not formulation. Please contact us first if there is no in vivo formulation at the solubility Section.)

% DMSO

% Tween 80

% ddH₂O

% DMSO

Calculation results:

Working concentration: mg/ml;

Method for preparing DMSO master liquid: mg drug pre-dissolved in μL DMSO ( Master liquid concentration mg/mL, Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug. )

Method for preparing in vivo formulation: Take μL DMSO master liquid, next addμL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O, mix and clarify.

Method for preparing in vivo formulation: Take μL DMSO master liquid, next add μL Corn oil, mix and clarify.

Note: 1. Please make sure the liquid is clear before adding the next solvent.
2. Be sure to add the solvent(s) in order. You must ensure that the solution obtained, in the previous addition, is a clear solution before proceeding to add the next solvent. Physical methods such
as vortex, ultrasound or hot water bath can be used to aid dissolving.

Chemical Information, Storage & Stability

Molecular Weight	378.45	Formula	C₁₅H₁₀N₂O₄S₃	Storage (From the date of receipt)	3 years-20°Cpowder
CAS No.	346640-08-2	Download SDF		Storage of Stock Solutions	1 year-80°Cin solvent 1 month-20°Cin solvent
Synonyms	AC1LYELL			Smiles	COC1=CC=C(C=C1)N2C(=O)C(=CC3=CC=C(S3)[N+](=O)[O-])SC2=S

Mechanism of Action

Targets/IC₅₀/Ki	protein disulfide isomerases
In vitro	In vitro, CCF642 inhibits PDI reductase activity about 100-fold more potently than the structurally distinct established inhibitors PACMA 31 and LOC14. Computational modeling suggests a novel covalent binding mode in active-site CGHCK motifs. This compound causes acute ER stress in multiple myeloma cells accompanied by apoptosis-inducing calcium release.
In vivo	CCF642 displays potent efficacy in an aggressive syngeneic mouse model of multiple myeloma and prolongs the lifespan of C57BL/KaLwRij mice engrafted with 5TGM1-luc myeloma, an effect comparable to the first-line multiple myeloma therapeutic.
References	[1] https://pubmed.ncbi.nlm.nih.gov/27197150/

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