| Identification | Back Directory | [Name]
3-(3,4-Dihydroisoquinolin-2(1H)-ylsulphonyl)benzoic acid | [CAS]
327092-81-9 | [Synonyms]
EU-0040696
CRT0036521
ZERO/006075
AKR1C3-IN-1
BAS 05946210
Oprea1_065304
TimTec1_006094
AKR1C3 inhibitor 1
3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzoic acid
3-(3,4-Dihydroisoquinolin-2(1H)-ylsulphonyl)benzoic acid
3-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)benzoic acid
Benzoic acid, 3-(3,4-dihydro-1H-isoquinoline-2-sulfonyl)-
Benzoic acid, 3-[(3,4-dihydro-2(1H)-isoquinolinyl)sulfonyl]- | [Molecular Formula]
C16H15NO4S | [MDL Number]
MFCD01197550 | [MOL File]
327092-81-9.mol | [Molecular Weight]
317.36 |
| Chemical Properties | Back Directory | [Boiling point ]
555.1±60.0 °C(Predicted) | [density ]
1.397±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
DMF: 33 mg/ml; DMSO: 25 mg/ml; Ethanol: Slightly soluble; PBS (pH 7.2): 0.25 mg/ml | [form ]
A solid | [pka]
3.72±0.10(Predicted) | [color ]
Light yellow to yellow |
| Hazard Information | Back Directory | [Uses]
AKR1C3-IN-1 is a potent, highly selective inhibitor of AKR1C3, with an IC50 of 13 nM. | [storage]
Store at -20°C | [References]
[1] Jamieson SM, et al. 3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic Acids: highly potent and selective inhibitors of the type 5 17-β-hydroxysteroid dehydrogenase AKR1C3. J Med Chem. 2012 Sep 13;55(17):7746-58. DOI:10.1021/jm3007867 |
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