Etelcalcetide hydrochloride (AMG 416 hydrochloride) - Moligand™, ≥99% , CAS No.1334237-71-6

CAS: 1334237-71-6 Cat. No.: E646830 Molecular Weight: 1353.33

GRADE & PURITY Moligand™, ≥99%

Synonyms

ETELCALCETIDE HYDROCHLORIDE [MI] | SCHEMBL22578458 | etelcalcetide hydrochloride | KAI-4169 hydrochloride | Etelcalcetide hydrochloride (JAN/USAN) | Etelcalcetide hydrochloride [USAN] | N-Acetyl-D-cysteinyl-D-alanyl-D-arginyl-D-arginyl-D-arginyl-D-alanyl-

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Etelcalcetide hydrochloride (AMG 416 hydrochloride) is a synthetic peptide as an activator of the calcium sensing receptor (CaSR). Etelcalcetide hydrochloride is effective in lowering parathyroid hormone (PTH) concentrations in patients receiving dialysis with secondary hyperparathyroidism receiving hemodialysis.

Form:Solid

Specifications

Synonyms

ETELCALCETIDE HYDROCHLORIDE [MI] | SCHEMBL22578458 | etelcalcetide hydrochloride | KAI-4169 hydrochloride | Etelcalcetide hydrochloride (JAN/USAN) | Etelcalcetide hydrochloride [USAN] | N-Acetyl-D-cysteinyl-D-alanyl-D-arginyl-D-arginyl-D-arginyl-D-alanyl-

Specifications & Purity

Moligand™, ≥99%

Biochemical and Physiological Mechanisms

Etelcalcetide hydrochloride (AMG 416 hydrochloride) is a synthetic peptide as an activator of the calcium sensing receptor (CaSR) . Etelcalcetide hydrochloride is effective in lowering parathyroid hormone (PTH) concentrations in patients receiving dialy

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 528773753
• Canonical Smiles: CC(C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(CSSCC(C(=O)O)N)NC(=O)C.Cl
• IUPAC Name: (2R)-3-[[(2S)-2-acetamido-3-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-oxopropyl]disulfanyl]-2-aminopropanoic acid;hydrochloride
• InChIKey: KHQMSZGKHGQUHG-WZDHWKSBSA-N
• INCHI: 1S/C38H73N21O10S2.ClH/c1-18(28(62)56-22(27(40)61)8-4-12-49-35(41)42)53-30(64)23(9-5-13-50-36(43)44)58-32(66)25(11-7-15-52-38(47)48)59-31(65)24(10-6-14-51-37(45)46)57-29(63)19(2)54-33(67)26(55-20(3)60)17-71-70-16-21(39)34(68)69;/h18-19,21-26H,4-17,39H2,1-3H3,(H2,40,61)(H,53,64)(H,54,67)(H,55,60)(H,56,62)(H,57,63)(H,58,66)(H,59,65)(H,68,69)(H4,41,42,49)(H4,43,44,50)(H4,45,46,51)(H4,47,48,52);1H/t18-,19-,21+,22-,23-,24-,25-,26-;/m1./s1
• Isomeric SMILES: C[C@H](C(=O)N[C@H](CCCN=C(N)N)C(=O)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@@H](C)NC(=O)[C@@H](CSSC[C@@H](C(=O)O)N)NC(=O)C.Cl
• Alternate CAS: 1334237-71-6；1262780-97-1
• MeSH Entry Terms: AMG 416;AMG-416;etelcalcetide;etelcalcetide hydrochloride;KAI-4169;Parsabiv;velcalcetide
• Molecular Weight: 1353.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: L-cysteine-S-conjugates N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives L-alpha-amino acids N-acyl amines Acetamides Primary carboxylic acid amides Secondary carboxylic acid amides Amino acids Guanidines Dialkyldisulfides Sulfenyl compounds Monocarboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxylic acids Hydrocarbon derivatives Carbonyl compounds Hydrochlorides Monoalkylamines Organic oxides Organopnictogen compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-oligopeptide - L-cysteine-s-conjugate - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Cysteine or derivatives - Alanine or derivatives - Alpha-amino acid - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - L-alpha-amino acid - Fatty amide - N-acyl-amine - Fatty acyl - Acetamide - Dialkyldisulfide - Secondary carboxylic acid amide - Primary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Guanidine - Organic disulfide - Amino acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Primary amine - Amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Hydrochloride - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: H2O: 10 mM, Sonication is recommended；DMSO: Insoluble
• Sensitivity: Moisture sensitive；Light sensitive
• Molecular Weight: 1084.700 g/mol
• Hydrogen Bond Donor Count: 19
• Hydrogen Bond Acceptor Count: 17
• Rotatable Bond Count: 36
• Exact Mass: 1083.51 Da
• Monoisotopic Mass: 1083.51 Da
• Topological Polar Surface Area: 618.000 Ų
• Heavy Atom Count: 72
• Formal Charge: 0
• Complexity: 1910.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 8
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

XLogP3