| Identification | Back Directory | [Name]
6-chloro-1H-indazol-3-amine | [CAS]
16889-21-7 | [Synonyms]
Zinc00154498
Einecs 240-925-9
6-chloro-1H-indazol-3-amine
3-Amino-6-chloro-1H-indazole
1H-Indazol-3-amine, 6-chloro-
6-Chloro-1H-Indazol-3-Amine
(6-Chloro-1H-Indazol-3-Yl)Amine | [EINECS(EC#)]
240-925-9 | [Molecular Formula]
C7H6ClN3 | [MDL Number]
MFCD00047207 | [MOL File]
16889-21-7.mol | [Molecular Weight]
167.6 |
| Chemical Properties | Back Directory | [Boiling point ]
408.7±25.0 °C(Predicted) | [density ]
1.533±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,2-8°C | [pka]
13.72±0.40(Predicted) | [Appearance]
Off-white to pale purple Solid | [InChI]
InChI=1S/C7H6ClN3/c8-4-1-2-5-6(3-4)10-11-7(5)9/h1-3H,(H3,9,10,11) | [InChIKey]
BPTYMRSBTUERSW-UHFFFAOYSA-N | [SMILES]
N1C2=C(C=CC(Cl)=C2)C(N)=N1 |
| Hazard Information | Back Directory | [Uses]
Starting from 6-chloro-1H-indazol-3-amine, the EDC/HOAt promoted coupling with the (S)-carboxylic acid derivative furnished (S)-1-(3-Amino-6-chloro-1H-indazol-1-yl)-2-methyl-3-phenoxypro-pan-1-one. This synthesis was performed to explore the structure-activity relationships (SAR) by substituting the indazole scaffold at the 6-position with a chlorine atom, facilitating the identification of novel CFTR potentiators.[1] | [References]
[1] Liu, F., Kaplan, A. L., Levring, J., Einsiedel, J., Tiedt, S., Distler, K., Omattage, N. S., Kondratov, I. S., Moroz, Y. S., Pietz, H. L., Irwin, J. J., Gmeiner, P., Shoichet, B. K., & Chen, J. (2024). Structure-based discovery of CFTR potentiators and inhibitors. Cell, 42 1. https://doi.org/10.1016/j.cell.2024.04.046
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