(S)-1-(2-Chloro-6-fluorophenyl)ethanamine hydrochloride
Names and Identifiers of 1000878-48-7
CAS Number |
1000878-48-7 |
|---|---|
MDL Number |
MFCD12757994 |
IUPAC Name |
(1S)-1-(2-chloro-6-fluorophenyl)ethanamine;hydrochloride |
InChI |
InChI=1S/C8H9ClFN.ClH/c1-5(11)8-6(9)3-2-4-7(8)10;/h2-5H,11H2,1H3;1H/t5-;/m0./s1 |
InChIKey |
PUBRSCIMJQYMNY-JEDNCBNOSA-N |
Canonical SMILES |
CC(C1=C(C=CC=C1Cl)F)N.Cl |
Isomeric SMILES |
C[C@@H](C1=C(C=CC=C1Cl)F)N.Cl |
UNSPSC Code |
12352100 |
Physical and chemical properties of 1000878-48-7
Exact Mass |
209.01700 |
|---|---|
LogP |
4.00110 |
Molecular Formula |
C8H10Cl2FN |
Molecular Weight |
210.07600 |
PSA |
26.02000 |
Storage condition |
Sealed in dry,Room Temperature |
Safety Information of 1000878-48-7
Applications of 1000878-48-7
(S)-1-(2-Chloro-6-fluorophenyl)ethanamine hydrochloride has several applications:
- Pharmaceutical Development: It is investigated as a potential therapeutic agent for neurological disorders due to its interaction with neurotransmitter systems.
- Research Tool: Used in pharmacological studies to elucidate mechanisms of action related to amine-based drugs.
- Chemical Probes: Its unique structure allows it to serve as a chemical probe in biological assays aimed at understanding receptor interactions.
Interaction Studies of 1000878-48-7
Interaction studies involving (S)-1-(2-Chloro-6-fluorophenyl)ethanamine hydrochloride focus on its binding affinity and selectivity towards various receptors. These studies often utilize techniques such as:
- In vitro Binding Assays: To evaluate interactions with specific neurotransmitter receptors.
- Cell-Based Assays: To assess functional outcomes related to receptor activation or inhibition.
- Computational Modeling: To predict interactions based on structural data and known binding sites.
Such studies are crucial for determining the potential therapeutic utility and safety profile of this compound.
Biological Activity of 1000878-48-7
The biological activity of (S)-1-(2-Chloro-6-fluorophenyl)ethanamine hydrochloride has been explored in various studies. Its structure suggests potential interactions with neurotransmitter systems, particularly those involving serotonin or dopamine receptors. The presence of halogen substituents may enhance binding affinity and selectivity towards specific biological targets.
Computer-aided prediction tools have been employed to assess the biological activity spectra of this compound, indicating promising pharmacological effects while also identifying potential toxicities or side effects associated with its use.
Physical sample testing spectrum (NMR) of 1000878-48-7
Cas:87327-69-3
