AIM-100

Alias: AIM-100 AIM100 AIM 100

Cat No.:V6107 Purity: ≥98%

COA Product Data Instructions for use SDS

AIM-100 is a potent and specific Ack1 inhibitor (antagonist) with IC50 of 21.58 nM.

AIM-100 Chemical Structure CAS No.: 873305-35-2
Product category: New1

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

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Nature 2024 Dec 18.

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

Cell 2020,183:1202-1218.e25.

Science Adv 2022: 8, eabm9427.

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Nature 597, 119–125 (2021)

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Cell 2020,183:1202-1218.e25.

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

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Product Description
Bioactivity & Protocols
Physicochemical Properties
Solubility Data
Calculators
Clinical Trial Information
Biological Data

Product Description

AIM-100 is a potent and specific Ack1 inhibitor (antagonist) with IC50 of 21.58 nM. AIM-100 also inhibits Tyr267 phosphorylation but not other kinases like PI3K and AKT subfamily members. AIM-100 has anti-cancer effects.

Biological Activity I Assay Protocols (From Reference)

ln Vitro	AIM-100 (2-10 μM; 48 hours) causes cell cycle arrest in the G1 phase by blocking both AKT tyrosine phosphorylation and Ack1 activation. AIM-100 suppresses source Ack1 activation in addition to Ack1/AKT Tyr phosphorylation. AIM-100 suppresses AR Tyr267 phosphorylation and its instability leading to ataxia-telangiectasia (ATM) in addition to suppressing Ack1 activation. Androgen receptor (AR) binding to PSA, NKX3.1, and TMPRSS2 promoters, as well as AR polymerization activity, can all be inhibited by AIM-100 [3]. It can also prevent pTyr267-AR phosphorylation.
ln Vivo	AIM-100 (4 mg/kg) reduces ataxia telangiectasia rupture (ATM) expression in amygdala-castrated nude mice, thereby inhibiting the formation of castrate-resistant radioresistant castrated obese carcinoma (CRPC) xenograft tumors [2].
References	[1]. Ack1 tyrosine kinase activation correlates with pancreatic cancer progression. Am J Pathol. 2012 Apr;180(4):1386-93. [2]. Ack1-mediated androgen receptor phosphorylation modulates radiation resistance in castration-resistant prostate cancer. J Biol Chem. 2012 Jun 22;287(26):22112-22. [3]. Effect of Ack1 tyrosine kinase inhibitor on ligand-independent androgen receptor activity. Prostate. 2010 Sep 1;70(12):1274-85.

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

Physicochemical Properties

Exact Mass	371.163
Elemental Analysis	C, 74.37; H, 5.70; N, 11.31; O, 8.61
CAS #	873305-35-2
PubChem CID	11501591
Appearance	White to yellow solid powder
LogP	5.22
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	28
Complexity	492
Defined Atom Stereocenter Count	1
SMILES	C1C[C@H](OC1)CNC2=C3C(=C(OC3=NC=N2)C4=CC=CC=C4)C5=CC=CC=C5
InChi Key	XNFHHOXCDUAYSR-SFHVURJKSA-N
InChi Code	InChI=1S/C23H21N3O2/c1-3-8-16(9-4-1)19-20-22(24-14-18-12-7-13-27-18)25-15-26-23(20)28-21(19)17-10-5-2-6-11-17/h1-6,8-11,15,18H,7,12-14H2,(H,24,25,26)/t18-/m0/s1
Chemical Name	N-[[(2S)-oxolan-2-yl]methyl]-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
Synonyms	AIM-100 AIM100 AIM 100
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 : ~50 mg/mL (~134.61 mM)

Solubility (In Vivo)

Solubility in Formulation 1: ≥ 2.5 mg/mL (6.73 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL.
Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution.

Solubility in Formulation 2: ≥ 2.5 mg/mL (6.73 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution.

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Solubility in Formulation 3: ≥ 2.5 mg/mL (6.73 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.

(Please use freshly prepared in vivo formulations for optimal results.)

Calculator

Mass

Concentration

Volume

Molecular Weight*

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

Calculate the Mass of a compound required to prepare a solution of known volume and concentration
Calculate the Volume of solution required to dissolve a compound of known mass to a desired concentration
Calculate the Concentration of a solution resulting from a known mass of compound in a specific volume

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
Enter 10 in the Concentration box and choose the correct unit (mM)
Enter 5 in the Volume box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 17.513 mg appears in the Mass box. In a similar way, you may calculate the volume and concentration.

Concentration (Start)

Volume (Start)

Concentration (End)

Volume (End)

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:

Enter 10 into the Concentration (Start) box and choose the correct unit (mM)
Enter 25 into the Concentration (End) box and select the correct unit (mM)
Enter 25 into the Volume (End) box and choose the correct unit (mL)
Click the “Calculate” button
The answer of 62.5 μL (0.1 ml) appears in the Volume (Start) box

Molecular formula

Total molecular weight

g/mol

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
Instructions to calculate molar mass (molecular weight) of a chemical compound:

To calculate molar mass of a chemical compound, please enter the chemical/molecular formula and click the “Calculate’ button.

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.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration

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

Enter the mass of the reagent and the desired reconstitution concentration as well as the correct units
Click the “Calculate” button
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)

Dosage mg/kg

Average weight of animals g

Dosing volume per animal μL

Number of animals

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.)

% DMSO

% Tween 80

% ddH₂O

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.

Clinical Trial Information

NCT Number	Recruitment	interventions	Conditions	Sponsor/Collaborators	Start Date	Phases
NCT02022813	COMPLETED	Dietary Supplement: Supplemental parenteral nutrition (SPN)	Critical Illness	Centre Hospitalier Universitaire Vaudois	2014-04	Not Applicable

Biological Data

AIM-100 inhibited pTyr284-Ack1 and pTyr176-AKT expression in insulin-treated cells. A: Serum-depleted CD18 cells were untreated or were treated with 0.8 μg/mL insulin for 30 minutes and with 10 μmol/L AIM-100 overnight, and lysates were immunoblotted using pTyr284-Ack1, pSer473-AKT, pTyr-IR, panAKT, and tubulin antibodies. The lysates were also immunoprecipitated using pTyr176-AKT antibodies, followed by immunoblotting using AKT antibodies. B: Serum-depleted Panc-1 cells were untreated or were treated with 10 ng/mL EGF for 10 minutes and with 5 and 10 μmol/L AIM-100 overnight, and lysates were immunoblotted using pTyr284-Ack1, pSer473-AKT, panAKT, and tubulin antibodies. The lysates were also immunoprecipitated using pTyr176-AKT antibodies, followed by immunoblotting using AKT antibodies. [1].Mahajan K, et al. Ack1 tyrosine kinase activation correlates with pancreatic cancer progression. Am J Pathol. 2012 Apr;180(4):1386-93.

AIM-100 inhibited growth of pancreatic cancer cells. A: CD18 cells were untreated or were treated with 10 μmol/L AIM-100 for 48 hours, and cells were photographed at 10× magnification using differential interference contrast imaging. AIM-100 treatment significantly inhibited the growth of cells. B: CD18, Panc-1, HPNE, OV90, MCF-7, MDA-MB-468, and MEF cells were untreated or were treated with 2 to 10 μmol/L AIM-100 for 48 hours, and an MTT assay was performed. The experiment was performed twice with eight replicates; a representative data set is shown. C: CD18 cells were electroporated (Lonza) with control and Ack1 siRNA, and cell lysates were immunoblotted using Ack1 and actin antibodies. D: CD18 cells were transfected with Ack1 or control siRNA, and cells were photographed at 10× magnification using differential interference contrast imaging. E: CD18 cells were transfected with Ack1 or control siRNA, and a WST-1 cell proliferation assay was performed. [1].Mahajan K, et al. Ack1 tyrosine kinase activation correlates with pancreatic cancer progression. Am J Pathol. 2012 Apr;180(4):1386-93.