Upacicalcet
Basic information
- CAS
1333218-50-0- Standard SMILES
Cc1c(Cl)cc(S(=O)(=O)O)cc1NC(=O)NC[C@H](N)C(=O)O- InChIKey
LHEYGVSDVBEYQF-QMMMGPOBSA-N- Molecular formula
- C11H14ClN3O6S
- Average molar mass
- 351.76 g/mol
- Monoisotopic mass
- 351.029184
Overview
Upacicalcet is a small molecule drug. The usage of the INN stem '-calcet/-calcet-' in the name indicates that Upacicalcet is a calcium-sensing receptor (CaSR) agonist. Upacicalcet is under investigation in clinical trial NCT05836220 (Parathyroid Hormone (PTH) Attenuation Trial in Hemodialysis-2). Upacicalcet has a monoisotopic molecular weight of 351.03 Da.
Names & identifiers
- Preferred name
- Upacicalcet
- IUPAC
- (2S)-2-amino-3-[(3-chloro-2-methyl-5-sulfophenyl)carbamoylamino]propanoic acid
- English name
- Upacicalcet
- Molecular formula
- C11H14ClN3O6S
- Molecular weight
- 351.76
Names & synonyms
Upacicalcet1333218-50-05C1222PBE2AJT240PLS240AJT-240PLS-240SK-1403L-Alanine, 3-((((3-chloro-2-methyl-5-sulfophenyl)amino)carbonyl)amino)-(2S)-2-Amino-3-(((3-chloro-2-methyl-5-sulfophenyl)carbamoyl)amino)propanoic acid(2S)-2-amino-3-{[(3-chloro-2-methyl-5-sulfophenyl)carbamoyl]amino}propanoic acidupacicalcetum
Show more names
Upacicalcet NaUtidelone Impurity 36
L-Alanine, 3-[[[(3-chloro-2-methyl-5-sulfophenyl)amino]carbonyl]amino]-RefChem:193151Upacicalcet [INN]upasita(2S)-2-amino-3-[(3-chloro-2-methyl-5-sulfophenyl)carbamoylamino]propanoic acidUNII-5C1222PBE2upacicalcet sodium hydrate(S)-2-Amino-3-(3-(3-chloro-2-methyl-5-sulfophenyl)ureido)propanoic acid
Database identifiers
- CAS
1333218-50-0- PubChem CID
- 53374467
- ChEMBL
CHEMBL6068421- UNII
- 5C1222PBE2
Properties
Computed structural properties
- XLogP
- -2.9
- Topological polar surface area
- 167 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 522
Physicochemical properties
- Density
- 1.643 · 1.643±0.06 g/cm3(Predicted)
- pka
- -1.67 · -1.67±0.50(Predicted)
- FDA UNII
- 5 C1222PBE2 · 5C1222PBE2
Chemistry & industry
Applications
UsesUpacicalcet is an intravenous calcimimetic agent. Upacicalcet suppresses excessive parathyroid hormone (PTH) secretion, thereby lowering blood PTH levels, by acting directly on parathyroid cell membrane calcium-sensing receptors. Upacicalcet can be used for researching the disease of secondary hyperparathyroidism (SHPT)[1].
Related reactions
1 records
Compound notes
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