CID-2011756

Alias: CID 2011756; CID-2011756; CID2011756

Cat No.:V0452 Purity: ≥98%

COA Product Data Instructions for use SDS

CID-2011756, discovered from an HTS-high throughput screening campaign, is a cell-permeable, ATP-competitive and specific inhibitor of PKD (protein kinase D) with potential anticancer activity.

CID-2011756 Chemical Structure CAS No.: 638156-11-3
Product category: PKD

This product is for research use only, not for human use. We do not sell to patients.

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Citations by Top Journals: Nature, Cell, Science, etc.

Top Publications Citing lnvivochem Products

Nature 2021, 597(7874):119-125.

Cell 2020,183:1202-1218.e25.

Science Adv 2022: 8, eabm9427.

Nature 597, 119–125 (2021)

Cell Stem Cell 2020,26(6):845-861.e12.

Science Trans Med 2023,15(701):eadd7872.

STTT 2023,8(1):91.

Cell Reports 2023,42(4):112313

Science Trans Med 2023, 15: eadd7872.

Cancer Cell 2021,39(4):529-547.e7.

Cancer Discov 2022,12(4):1106-1127.

Immunity 2023,56(3):620-634.e11.

J Am Chem Soc 2022,144:21831-21836.

Cell 2020,183:1202-1218.e25.

Science Adv 2022:8,eabm9427.

Nature 2021,597(7874):119-125.

Cell 2020,183:1202-1218.e25.

PNAS Nexus 2022,1(3):pgac063.

ACS Nano 2023,17(10):9110-9125.

Biomaterial 2023 Sep16:302:122333.

Product Description
Bioactivity & Protocols
Physicochemical Properties
Solubility Data
Calculators
Biological Data

Product Description

CID-2011756, discovered from an HTS-high throughput screening campaign, is a cell-permeable, ATP-competitive and specific inhibitor of PKD (protein kinase D) with potential anticancer activity. It inhibits PKD2/3/1 with IC50 values of 0.6, 0.7 and 3.2 μM, respectively. Diacylglycerol regulates a novel family of serine/threonine kinases called PKD, which is implicated in numerous cellular functions as well as a range of pathological conditions. In LNCaP prostate cancer cells, phorbol ester-induced endogenous PKD1 activation is inhibited by CID-2011756 in a concentration-dependent manner.

Biological Activity I Assay Protocols (From Reference)

Targets

Cellular PKD2 ( IC50 = 0.6 μM ); Cellular PKD3 ( IC50 = 0.7 μM ); PKD1 ( IC50 = 3.2 μM )

ln Vitro

In vitro activity: CID 2011756 is an ATP-competitive inhibitor of PKD1, with an IC50 of 3.2 µM. CID 2011756 reduces the endogenous PKD1 Ser⁹¹⁶ phosphorylation in LNCaP cancer cells, with an EC50 of 10±0.7 µM. With IC50s of 0.6±0.1 µM and 0.7±0.2 µM for PKD2 and PKD3, respectively, CID 2011756 also exhibits cellular pan-PKD inhibitory effects[1].

ln Vivo

Enzyme Assay

CID 2011756 has comparable, though not identical, potencies to pan-PKD inhibitors (PKD2 IC50 = 0.6±0.1 uM; PKD3 IC50 = 0.7±0.2 uM), as might be expected for an ATP competitive inhibitor. At 10±0.7 uM (n = 3), CID 2011756 had the highest potency among the inhibitors. This EC50 value was similar to that of benzoxoloazepinolone, which we had previously reported.

Cell Assay

In LNCaP prostate cancer cells, it inhibits endogenous PKD1 activation induced by phorbol ester in a concentration-dependent manner.

Animal Protocol

References

[1]. Discovery of diverse small molecule chemotypes with cell-based PKD1 inhibitory activity. PLoS One. 2011;6(10):e25134.

These protocols are for reference only. InvivoChem does not independently validate these methods.

Physicochemical Properties

Molecular Formula

C22H21CLN2O3

Molecular Weight

396.87

Exact Mass

396.12

Elemental Analysis

C, 66.58; H, 5.33; Cl, 8.93; N, 7.06; O, 12.09

CAS #

638156-11-3

Related CAS #

638156-11-3

Appearance

Solid powder

SMILES

C1COCCN1CC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)C4=CC(=CC=C4)Cl

InChi Key

XQJWTJLJEYIUDZ-UHFFFAOYSA-N

InChi Code

InChI=1S/C22H21ClN2O3/c23-18-3-1-2-17(14-18)20-8-9-21(28-20)22(26)24-19-6-4-16(5-7-19)15-25-10-12-27-13-11-25/h1-9,14H,10-13,15H2,(H,24,26)

Chemical Name

5-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)phenyl]furan-2-carboxamide

Synonyms

CID 2011756; CID-2011756; CID2011756

HS Tariff Code

2934.99.9001

Storage

Powder -20°C 3 years

4°C 2 years

In solvent -80°C 6 months

-20°C 1 month

Shipping Condition

Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Solubility Data

Solubility (In Vitro)

DMSO: ~20 mM (~50.4 mM)

Water: <1 mg/mL

Ethanol: N/A

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.5197 mL	12.5986 mL	25.1972 mL
	5 mM	0.5039 mL	2.5197 mL	5.0394 mL
	10 mM	0.2520 mL	1.2599 mL	2.5197 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.

Calculator

Mass

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Volume

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Molarity Calculator allows you to calculate the mass, volume, and/or concentration required for a solution, as detailed below:

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See Example

An example of molarity calculation using the molarity calculator is shown below:
What is the mass of compound required to make a 10 mM stock solution in 5 ml of DMSO given that the molecular weight of the compound is 350.26 g/mol?

Enter 350.26 in the Molecular Weight (MW) box
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The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

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Dilution Calculator allows you to calculate how to dilute a stock solution of known concentrations. For example, you may Enter C1, C2 & V2 to calculate V1, as detailed below:

What volume of a given 10 mM stock solution is required to make 25 ml of a 25 μM solution?
Using the equation C1V1 = C2V2, where C1=10 mM, C2=25 μM, V2=25 ml and V1 is the unknown:

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The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box

Molecular formula

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g/mol

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Molecular Weight Calculator allows you to calculate the molar mass and elemental composition of a compound, as detailed below:

Note: Chemical formula is case sensitive: C12H18N3O4 c12h18n3o4
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Definitions of molecular mass, molecular weight, molar mass and molar weight:

Molecular mass (or molecular weight) is the mass of one molecule of a substance and is expressed in the unified atomic mass units (u). (1 u is equal to 1/12 the mass of one atom of carbon-12)
Molar mass (molar weight) is the mass of one mole of a substance and is expressed in g/mol.

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Reconstitution Calculator allows you to calculate the volume of solvent required to reconstitute your vial.

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The answer appears in the Volume (to add to vial) box

In vivo Formulation Calculator (Clear solution)

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

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Step 2: Enter in vivo formulation (This is only a calculator, not the exact formulation for a specific product. Please contact us first if there is no in vivo formulation in the solubility section.)

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Calculation results

Working concentration： mg/mL；

Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution 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 stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH₂O，mix and clarify.

Note： (1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.

Biological Data

Select, novel PKD1 SMI display inhibition of cellular PKD1 phosphorylation at Ser916.PLoS One.2011;6(10):e25134.
Docking simulations of select cellular active PKD1 small molecule inhibitors in a conserved PKA catalytic core.PLoS One.2011;6(10):e25134.
Confirmed novel PKD1 inhibitors display competitive activity with respect to ATP.PLoS One.2011;6(10):e25134.