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Grp94 Inhibitor-1 is a novel and potent Grp94 inhibitor with anti-inflammatory activity. It inhibits Grp94 with an IC50 value of 2 nM, and exhibits over 1000-fold selectivity to Grp94 against Hsp90α.
| ln Vitro |
Grp94-specific clients include a subset of integrin subunits, including integrin α2 and αL. Grp94 chaperone action is necessary for their maturation and transport to the cell surface, although cytoplasmic Hsp90α is not. Grp94 Inhibitor-1 (1-5 μM; 36 hours) reduces integrin α2 and integrin αL expression levels on panc1 cells in a dose-dependent manner [1].
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|---|---|
| ln Vivo |
In contrast to colon shortening, Grp94 Inhibitor-1 (ip, once daily; co-administered 10 mg/kg or 30 mg/kg; 8 days) decreased disease activity index (DAI) ratings. Additionally, it can considerably lower p65 expression in colon tissue and lower blood and colon tissue levels of TNFα and IL-6, particularly in the 30 mg/kg dosing group [1].
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| Cell Assay |
Western Blot Analysis [1]
Cell Types: Panc1 Cell Tested Concentrations: 1 μM; 2.5 μM; 5 μM Incubation Duration: 36 hrs (hours) Experimental Results: diminished integrin α2 and integrin αL protein expression. |
| Animal Protocol |
Animal/Disease Models: C57BL/6 mice (male, 20-22 g) [1]
Doses: 10 mg/kg or 30 mg/kg Route of Administration: intraperitoneal (ip) injection, one time/day; combined administration of 10 mg/kg or 30 mg/kg Experimental Results: Disease Activity Index (DAI) scores were diminished in UC mice. |
| References |
| Molecular Formula |
C22H28N2O2
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|---|---|
| Molecular Weight |
352.469925880432
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| Exact Mass |
352.215
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| CAS # |
2234897-35-7
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| PubChem CID |
137321151
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| Appearance |
Light yellow to yellow solid powder
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| LogP |
4.7
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
3
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
26
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| Complexity |
451
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| Defined Atom Stereocenter Count |
0
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| SMILES |
OC1CCC(CC1)NC1C=CC(C2C=CC(=CC=2)C(C)C)=CC=1C(N)=O
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| InChi Key |
JMGDXIHGWTVBMX-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C22H28N2O2/c1-14(2)15-3-5-16(6-4-15)17-7-12-21(20(13-17)22(23)26)24-18-8-10-19(25)11-9-18/h3-7,12-14,18-19,24-25H,8-11H2,1-2H3,(H2,23,26)
|
| Chemical Name |
2-[(4-hydroxycyclohexyl)amino]-5-(4-propan-2-ylphenyl)benzamide
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| HS Tariff Code |
2934.99.9001
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| 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)
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| Solubility (In Vitro) |
DMSO : ~250 mg/mL (~709.28 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (5.90 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 20.8 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: ≥ 2.08 mg/mL (5.90 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 20.8 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. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (5.90 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.8371 mL | 14.1856 mL | 28.3712 mL | |
| 5 mM | 0.5674 mL | 2.8371 mL | 5.6742 mL | |
| 10 mM | 0.2837 mL | 1.4186 mL | 2.8371 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.
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.
(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.
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