Prazarelix

Base Information

• Chemical Name: Prazarelix
• CAS No.: 134457-28-6
• Molecular Formula: C80H102 Cl N23 O12
• Molecular Weight: 1613.29
• ChEMBL ID: CHEMBL409018
• NCI Thesaurus Code: C97708
• Wikidata: Q27264254
• Mol file: 134457-28-6.mol

Synonyms:Prazarelix;134457-28-6;UNII-68HX54O1VL;SCHEMBL355870;CHEMBL409018;Q27264254;D-Alaninamide,N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-4-[(3-amino-1H-1,2,4-triazol-5-yl)amino]-L-phenylalanyl-4-[(3-amino-1H-1,2,4-triazol-5-yl)am;N-Acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-L-phenylalanyl-4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-D-phenylalanyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl-D-/;N-Acetyl-3-(2-naphthyl)-D-alanyl-p-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-p-((5-amino-s-triazol-3-yl)amino)-L-phenylalanyl-p-((5-amino-s-triazol-3-yl)amino)-D-phenylalanyl-L-leucyl-N(sup 6)-isopropyl-L-lysyl-L-prolyl-D-alaninamide

Chemical Property of Prazarelix

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 529.69000
• Density: 1.348g/cm³
• LogP: 8.23090
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 18
• Hydrogen Bond Acceptor Count: 22
• Rotatable Bond Count: 42
• Exact Mass: 1611.7766835
• Heavy Atom Count: 116
• Complexity: 3180

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)NC3=NNC(=N3)N)NC(=O)C(CC4=CC=C(C=C4)NC5=NNC(=N5)N)NC(=O)C(CO)NC(=O)C(CC6=CN=CC=C6)NC(=O)C(CC7=CC=C(C=C7)Cl)NC(=O)C(CC8=CC9=CC=CC=C9C=C8)NC(=O)C
• Isomeric SMILES: C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(C=C2)NC3=NNC(=N3)N)NC(=O)[C@H](CC4=CC=C(C=C4)NC5=NNC(=N5)N)NC(=O)[C@H](CO)NC(=O)[C@@H](CC6=CN=CC=C6)NC(=O)[C@@H](CC7=CC=C(C=C7)Cl)NC(=O)[C@@H](CC8=CC9=CC=CC=C9C=C8)NC(=O)C

Technology Process of Prazarelix

There total 2 articles about Prazarelix which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

acetic anhydride (108-24-7) + Boc-DPal (98266-33-2,105454-25-9) + N-Boc-D-(4-Cl)Phe-OH (57292-44-1) + Boc-D-2Nal-OH (76985-10-9) + (R)-3-(4-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)phenyl)-2-((tert-butoxycarbonyl)amino)propanoic acid (114346-31-5,173054-11-0) → [Ac-D-2Nal1, D-4Cpa2, D-3Pal3, 4Aph(Atz)5, D-4Aph(Atz)6, ILys8, D-Ala10]gonadotropin-releasing hormone (134457-28-6)

Guidance literature:

Multistep reaction.;

DOI:10.1021/jm0613931

Reference yield:

N-cyanodiphenylcarbonimidate (79463-77-7) → [Ac-D-2Nal1, D-4Cpa2, D-3Pal3, 4Aph(Atz)5, D-4Aph(Atz)6, ILys8, D-Ala10]gonadotropin-releasing hormone (134457-28-6)

Guidance literature:

Multistep reaction;

DOI:10.1021/jm00112a013

upstream raw materials:

N-cyanodiphenylcarbonimidate

acetic anhydride

Boc-DPal

N-Boc-D-(4-Cl)Phe-OH