Tecalcet Hydrochloride
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Basic information
- CAS
177172-49-5- Standard SMILES
COc1cccc([C@@H](C)NCCCc2ccccc2Cl)c1.Cl- InChIKey
YJXUXANREVNZLH-PFEQFJNWSA-N- Molecular formula
- C18H23Cl2NO
- Average molar mass
- 340.3 g/mol
- Monoisotopic mass
- 339.1156697
Overview
NPS-568 is the ((R), HCl salt)-isomer; calcimimetic compound and calcium-sensing receptor agonist
Names & identifiers
- Preferred name
- Tecalcet Hydrochloride
- IUPAC
- 3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine;hydrochloride
- English name
- 2-Chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-benzenepropanaminehydrochloride
- Molecular formula
- C18H23Cl2NO
- Molecular weight
- 340.28732
Names & synonyms
177172-49-5Tecalcet hydrochlorideTecalcet HClNorcalcinNPS R-568KRN-568R-5683HP28R98LCNPSR-568NPS-R-568DTXSID101702633-(2-Chlorophenyl)-N-((1R)-1-(3-methoxyphenyl)ethyl)propan-1-amine hydrochloride
Show more names
NPS-R568R 568 hydrochlorideTecalcet HCl (KRN568Tecalcet (Hydrochloride)R-568 hydrochloride >=95% (HPLC)Tecalcet Hydrochloride, 10 mM in DMSO2-Chloro-N-[(1R)-1-(3-methoxyphenyl)ethyl]-benzenepropanaminehydrochloride(R)-3-(2-Chlorophenyl)-N-(1-(3-methoxyphenyl)ethyl)propan-1-amine hydrochloride
N-(2-chlorophenylpropyl)-1-(3-methoxyphenyl)ethylamineBenzenepropanamine, 2-chloro-N-((1R)-1-(3-methoxyphenyl)ethyl)-, hydrochloride3-(2-chlorophenyl)-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-1-amine hydrochlorideR568 compoundNorcalinNPS 568RefChem:187661DTXCID4092754
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 21.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Melting point
- 183.3 · 183.3-184.4 °C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 50 mg/mL · DMSO : 50 mg/mL (146.93 mM; Need ultrasonic)
- form
- Powder
- color
- White to off-white
- optical activity
- 35 to · [α]/D +35 to +40°, c =0.5 in chloroform-d
- InChI
- 1S/C18H22ClNO.ClH/c1-14(16-8-5-10-17(13-16)21-2)20-12-6-9-15-7-3-4-11-18(15)19;/h3-5,7-8,10-11,13-14,20H,6,9,12H2,1-2H3;1H/t14-;/m1./s1
- InChIKey
- YJXUXANREVNZLH-PFEQFJNWSA-N
- SMILES
- C[C@@H](NCCCC1=C(C=CC=C1)Cl)C2=CC=CC(OC)=C2.Cl
- FDA UNII
- 3 HP28R98LC · 3HP28R98LC
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
DescriptionCalcium-sensing receptor (CaSR) is a G protein-coupled receptor that is involved in calcium homeostasis. Activation of CaSR on parathyroid cells decreases the secretion of parathyroid hormone (PTH), which in turn reduces blood calcium concentration. R-568 is a calcimimetic compound that can allosterically activate or positively modulate the human CaSR. It dose-dependently decreases circulating levels of PTH in both normal individuals and patients with primary hyperparathyroidism in clinical trials. R-568 is used in research to explore novel actions of CaSR.
UsesTreatment of hyperparathyroidism and related disorders, such as hypercalcemia (reduction of PTH secretion through modulation of calcium ion receptors on parathyroid cells).
UsesR 568 Hydrochloride is a calcimimetic, which prevents vascular remodeling in uremia.
Related reactions
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Compound notes
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