Icatibant

Base Information

• Chemical Name: Icatibant
• CAS No.: 138614-30-9
• Molecular Formula: C61H93N19O15S
• Molecular Weight: 1304.52
• European Community (EC) Number: 863-000-7
• UNII: 7PG89G35Q7
• DSSTox Substance ID: DTXSID20903963
• Nikkaji Number: J389.307C
• Wikipedia: Icatibant
• Wikidata: Q902379
• NCI Thesaurus Code: C98883
• RXCUI: 1148138
• Pharos Ligand ID: C9RJ35J68WZH
• Metabolomics Workbench ID: 149668
• ChEMBL ID: CHEMBL2028850
• Mol file: 138614-30-9.mol

Synonyms:D-Arg(Hyp(3)-Thi(5)-D-Tic(7)-Oic(8))BK;D-Arg(Hyp(3)-Thi(5)-L-Tic(7)-Oic(8))BK;Firazyr;HOE 140;HOE-140;HOE140;Hoechst 140;Hoechst-140;icatibant;icatibant acetate;JE 049;JE-049;WIN 65365;WIN-65365

Chemical Property of Icatibant

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 581.76000
• Density: 1.6g/cm³
• LogP: 1.67610
• Storage Temp.: −20°C
• XLogP3: -6.4
• Hydrogen Bond Donor Count: 15
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 30
• Exact Mass: 1303.66079514
• Heavy Atom Count: 92
• Complexity: 2720

Purity/Quality:

>95% ^*data from raw suppliers

IcatibantAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CCC2C(C1)CC(N2C(=O)C3CC4=CC=CC=C4CN3C(=O)C(CO)NC(=O)C(CC5=CC=CS5)NC(=O)CNC(=O)C6CC(CN6C(=O)C7CCCN7C(=O)C(CCCN=C(N)N)NC(=O)C(CCCN=C(N)N)N)O)C(=O)NC(CCCN=C(N)N)C(=O)O
• Isomeric SMILES: C1CC[C@H]2[C@@H](C1)C[C@H](N2C(=O)[C@H]3CC4=CC=CC=C4CN3C(=O)[C@H](CO)NC(=O)[C@H](CC5=CC=CS5)NC(=O)CNC(=O)[C@@H]6C[C@H](CN6C(=O)[C@@H]7CCCN7C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](CCCN=C(N)N)N)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O
• Recent ClinicalTrials: Prevention of Intradialytic Hypotension by Inhibiting Bradykinin B2 Receptor
• Recent EU Clinical Trials: Evaluation of the effects of bradykinin antagonists on pulmonary manifestations of COVID-19 infections.
• Recent NIPH Clinical Trials: A study on the efficacy of icatibant for sweating-induced dermal pain
• Description: Although it is a rare disease, HAE is an autosomal dominant disorder that can be potentially life-threatening when swelling manifests itself within the upper airways. Antagonism of the constitutively expressed B2 receptor, therefore, would not only be beneficial in the treatment of HAE but also find application in inflammatory, allergic, and hyperalgesic disorders.Designed to possess enhanced metabolic stability with the inclusion of five non-proteinogenic amino acids, icatibant is a competitive and selective B2 receptor antagonist (devoid of activity against the inducible B1 receptor) with a Ki of 2.2±0.7 nM, and it is the first downstream targeting agent to receive regulatory approval. It joins purified C1 esterase inhibitor, danazol (an attenuated androgen), and tranexamic acid (an antifibrinolytic agent) as acute and prophylactic treatments for HAE.
• Uses: Icatibant Acetate is a bradykinin B2 receptor antagonist that has been recently approved for treatment of acute attacks of hereditary angioedema (HAE).

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