Pristinamycin IA

Base Information

• Chemical Name: Pristinamycin IA
• CAS No.: 3131-03-1
• Deprecated CAS: 992-77-8,29119-05-9,27665-62-9,11031-72-4,4460-65-5,11004-61-8
• Molecular Formula: C45H54 N8 O10
• Molecular Weight: 866.971
• UNII: V50XJ0NC3I
• DSSTox Substance ID: DTXSID701028335
• Nikkaji Number: J20.721G
• Wikipedia: Pristinamycin_IA
• Wikidata: Q14035740
• NCI Thesaurus Code: C185139
• Metabolomics Workbench ID: 123039
• ChEMBL ID: CHEMBL1256399
• Mol file: 3131-03-1.mol

Synonyms:4-(4-(Dimethylamino)-N-methyl-L-phenylalanine)virginiamycin S1;Mikamycin B;Osteogrycin B;Pristinamycin IA;Streptogramin B;Synergistin B;Vernamycin Balpha

Chemical Property of Pristinamycin IA

Chemical Property:

• Melting Point: 198°
• Refractive Index: 1.6910 (estimate)
• Boiling Point: 1202.1°Cat760mmHg
• PKA: pKa 7.20±0.05(H2O,t =25,I=0.2(LiClO4)) (Uncertain)
• Flash Point: 680.8°C
• PSA: 227.96000
• Density: 1.38g/cm³
• LogP: 2.13220
• Storage Temp.: -20°C Freezer
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 7
• Exact Mass: 866.39628995
• Heavy Atom Count: 63
• Complexity: 1700

Purity/Quality:

99%, ^*data from raw suppliers

Virginiamycin B ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C(=O)N2CCCC2C(=O)N(C(C(=O)N3CCC(=O)CC3C(=O)NC(C(=O)OC(C(C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=C(C=C6)N(C)C)C
• Isomeric SMILES: CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3CCC(=O)C[C@H]3C(=O)N[C@H](C(=O)O[C@@H]([C@@H](C(=O)N1)NC(=O)C4=C(C=CC=N4)O)C)C5=CC=CC=C5)CC6=CC=C(C=C6)N(C)C)C
• Uses: One of the two major components of Pristinamycin (Pristinamycin IA and Pristinamycin IIA (or Virginiamycin M1-V673810). Virginiamycin B is a depsipeptide antibiotic co-produced with ostreogrycin A, together used as a syngergistic mixture. Virginiamycin B, also known as ostreogrycin B and streptogramin B among other synonyms, was discovered independently and named by several groups, leading to considerable confusion in the literature. Viriginiamycin B acts a syngergist, binding to the conformational change of the peptidyl transferase centre of the 50S ribosome induced by ostreogrycin A.