(2R)-2-[[(2R)-2-amino-3-(1-methoxycarbonylindol-3-yl)propanoyl]-[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]hexanoic acid

Base Information

• Chemical Name: (2R)-2-[[(2R)-2-amino-3-(1-methoxycarbonylindol-3-yl)propanoyl]-[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]hexanoic acid
• CAS No.: 219685-50-4
• Molecular Weight: 0.00000
• Wikidata: Q27075467
• Pharos Ligand ID: LJSWXPH9NGW5
• Mol file: 219685-50-4.mol

Synonyms:(2R)-2-[[(2R)-2-amino-3-(1-methoxycarbonylindol-3-yl)propanoyl]-[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]hexanoic acid;D08IXA;GTPL1010;SCHEMBL18429752;Q27075467;219685-50-4

Chemical Property of (2R)-2-[[(2R)-2-amino-3-(1-methoxycarbonylindol-3-yl)propanoyl]-[(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-4,4-dimethylpentanoyl]amino]hexanoic acid

Chemical Property:

• PSA: 0.00000
• LogP: 0.00000
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 13
• Exact Mass: 641.37884898
• Heavy Atom Count: 46
• Complexity: 1080

Purity/Quality:

98%(min) ^*data from raw suppliers

Eculizumab ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(C(=O)O)N(C(=O)C(CC1=CN(C2=CC=CC=C21)C(=O)OC)N)C(=O)C(CC(C)(C)C)NC(=O)N3C(CCCC3C)C
• Isomeric SMILES: CCCC[C@H](C(=O)O)N(C(=O)[C@@H](CC1=CN(C2=CC=CC=C21)C(=O)OC)N)C(=O)[C@H](CC(C)(C)C)NC(=O)N3[C@@H](CCC[C@@H]3C)C
• Recent EU Clinical Trials: A RANDOMIZED, OPEN-LABEL ECULIZUMAB AND RAVULIZUMAB CONTROLLED STUDY TO EVALUATE THE EFFICACY AND SAFETY OF POZELIMAB AND CEMDISIRAN COMBINATION THERAPY IN PATIENTS WITH PAROXYSMAL NOCTURNAL HEMOGLOBINURIA WHO ARE CURRENTLY TREATED WITH ECULIZUMAB OR RAVULIZUMAB
• Description: Eculizumab, a fully humanized anti-C5 monoclonal antibody, was introduced for treating patients with PNH to reduce hemolysis. It is the first therapy to be approved for this rare and life-threatening form of hemolytic anemia. PNH is a clonal hematopoietic stem-cell disorder that is characterized by the production of abnormal red blood cells (RBCs) with a deficiency of surface proteins that protect the cells against attack by the body’s complement system. Complement-mediated destruction of the susceptible RBCs results in intravascular hemolysis, the primary clinical manifestation in all PNH patients. Previously, patients with PNH have mainly been managed supportively, with red cell transfusions as required, and treatments such as folate and iron supplementation, anticoagulation for thrombotic disease, and the occasional use of steroids during hemolytic crises. Allogenic stem cell transplantation is currently the only curative option for PNH; however, it is associated with significant morbidity and mortality. Eculizumab therapy is aimed at preventing red cell lysis through blockade of complement activation process and the production of the membrane attack complex. Eculizumab specifically binds to the human complement protein C5 with high affinity (IC50 ＝ 2 nM) and inhibits its cleavage to C5a and C5b, which is a key step in the pathway leading to the membrane attack complex C5b-C9.Eculizumab has been granted orphan drug status from both the FDA and European regulatory agencies.The most serious adverse reaction associated with eculizumab therapy is meningococcal infections. Eculizumab is contraindicated in patients who are not vaccinated against Neisseria meningitidis or who have N. meningitidis infections. The most common adverse reactions with eculizumab include headache (44%), nasopharyngitis (23%), back pain (19%), and nausea (16%).
• Uses: Treatment of autoimmune disease such as rheumatoid arthritis, membranous nephritis, lupus nephritis, dermatomyositis, and autoimmune hemolytic anemias.
• Clinical Use: Recombinant monoclonal antibody:Paroxysmal nocturnal haemoglobinuria (PNH)Atypical haemolytic uraemic syndrome (aHUS)Refractory generalized myasthenia gravis (gMG) in patients who are anti-acetylcholine receptor (AChR) antibody-positive (MG)