| Identification | Back Directory | [Name]
3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA[C]QUINOLINE-4-CARBOXYLIC ACID | [CAS]
354815-90-0 | [Synonyms]
MurA-IN-1
MurAIN1,MurA IN 1
CHEMBRDG-BB 4141340
3A,4,5,9B-TETRAHYDRO-3H-CYCLOPENTA[C]QUINOLINE-4-CARBOXYLIC ACID
3H-Cyclopenta[c]quinoline-4-carboxylic acid, 3a,4,5,9b-tetrahydro-
3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-4-carboxylic acid(SALTDATA: FREE) | [Molecular Formula]
C13H13NO2 | [MDL Number]
MFCD01593500 | [MOL File]
354815-90-0.mol | [Molecular Weight]
215.25 |
| Chemical Properties | Back Directory | [Boiling point ]
406.5±45.0 °C(Predicted) | [density ]
1.250±0.06 g/cm3(Predicted) | [solubility ]
DMSO : 50 mg/mL (232.29 mM; Need ultrasonic) | [form ]
Solid | [pka]
2.06±0.20(Predicted) | [color ]
Brown to black | [InChI]
1S/C13H13NO2/c15-13(16)12-10-6-3-5-8(10)9-4-1-2-7-11(9)14-12/h1-5,7-8,10,12,14H,6H2,(H,15,16) | [InChIKey]
WRJCENKZISEXPF-UHFFFAOYSA-N | [SMILES]
O=C(O)C1NC2=CC=CC=C2C3C=CCC13 |
| Safety Data | Back Directory | [Hazard Codes ]
Xi,T | [Risk Statements ]
25 | [Safety Statements ]
45 | [RIDADR ]
UN 2811 6.1 / PGIII | [WGK Germany ]
3 | [HazardClass ]
IRRITANT | [Storage Class]
6.1D - Non-combustible acute toxic Cat.3
toxic hazardous materials or hazardous materials causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral |
| Hazard Information | Back Directory | [Uses]
MurA-IN-1 (compound 1a) is a PTPRR inhibitor, with IC50 values of 0.23 μM, 0.8 μM, 0.75 μM and 0.09 μM for PTP1B, PTPN5, PTPN7 and PTPRR, respectively[1]. (A family of human MAPK-specific protein tyrosine phosphatases) | [References]
[1] Jeyanthy Eswaran, et al. Crystal structures and inhibitor identification for PTPN5, PTPRR and PTPN7: a family of human MAPK-specific protein tyrosine phosphatases. Biochem J. 2006 May 1;395(3):483-91. DOI:10.1042/BJ20051931 |
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