327092-81-9
327092-81-9 structure
- Name: AKR1C3-IN-1
- Chemical Name: 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid
- CAS Number: 327092-81-9
- Molecular Formula: C16H15NO4S
- Molecular Weight: 317.36000
- Catalog: Research Areas Others
- Create Date: 2018-10-09 21:22:34
- Modify Date: 2024-01-04 17:08:12
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AKR1C3-IN-1 is a potent, highly selective inhibitor of AKR1C3, with an IC50 of 13 nM.
| Name | 3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid |
|---|---|
| Synonyms |
3-(2-1,2,3,4-tetrahydroisoquinolylsulfonyl)benzoic acid
3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acid 3-(3,4-Dihydro-1H-isoquinoline-2-sulfonyl)-benzoic acid AKR1C3-IN-1 |
| Description | AKR1C3-IN-1 is a potent, highly selective inhibitor of AKR1C3, with an IC50 of 13 nM. |
|---|---|
| Related Catalog | |
| Target |
IC50: 13 nM (AKR1C3)[1] |
| In Vitro | AKR1C3-IN-1 shows less potent activities with 20.3±3.8 μM against AKR1C1 and >30 μM against AKR1C2 and AKR1C4. AKR1C3-IN-1 inhibits AKR1C3 activity (inhibiting PR-104H formation) with an IC50 of 0.027±0.002 μM[1]. |
| Kinase Assay | A competitive fluorescence assay is used to measure AKR1C enzyme activity, where a nonfluorescent ketone probe (probe 5) selective for the AKR1C enzyme isoforms is reduced to a fluorescent alcohol in the presence of AKR1C enzyme and NADPH. Briefly, purified protein (2 μg/mL AKR1C1, 1 μg/mL AKR1C2, 2 μg/mL AKR1C3, and 5 μg/mL AKR1C4) are incubated with 40 μM probe 5, AKR1C3-IN-1, and 50 μM NADPH in an assay buffer of 10 mM MOPS (pH=7.2), 130 mM NaCl, 1 mM DTT, and 0.01% Triton-X-100 for 1 h at 37°C. The reaction is stopped by addition of 35 mM NaOH, and fluorescence is read in a SpectraMax M2 microplate reader at excitation/emission wavelengths of 420/510 nM. The compounds and known AKR1C3 inhibitors (flufenamic acid, indomethacin, naproxen, meclofenamic acid, S(+)-ibuprofen and flurbiprofen) are tested at multiple concentrations between 0.1 nM and 100 μM in 2% DMSO to generate AKR1C enzyme inhibition data. Compound IC50 values are calculated by fitting the inhibition data to a four-parameter logistic sigmoidal dose-response curve using Prism 5.02. |
| References |
| Molecular Formula | C16H15NO4S |
|---|---|
| Molecular Weight | 317.36000 |
| Exact Mass | 317.07200 |
| PSA | 83.06000 |
| LogP | 3.15050 |
| Storage condition | 2-8℃ |
| HS Code | 2933499090 |
|---|
| HS Code | 2933499090 |
|---|---|
| Summary | 2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |