Basic information
- CAS
3131-03-1- Standard SMILES
CCC1NC(=O)C(NC(=O)c2ncccc2O)C(C)OC(=O)C(c2ccccc2)NC(=O)C2CC(=O)CCN2C(=O)C(Cc2ccc(N(C)C)cc2)N(C)C(=O)C2CCCN2C1=O- InChIKey
YGXCETJZBDTKRY-UHFFFAOYSA-N- Molecular formula
- C45H54N8O10
- Average molar mass
- 867 g/mol
- Monoisotopic mass
- 866.39628995
Overview
pristinamycin IA has been reported in Streptomyces pristinaespiralis and Streptomyces virginiae with data available.
Names & identifiers
- Preferred name
- Vernamycin BA
- IUPAC
- N-[3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxypyridine-2-carboxamide
- English name
- Pristinamycin IA
- Molecular formula
- C45H54N8O10
- Molecular weight
- 866.96
Names & synonyms
3131-03-1Vernamycin BAVernamycin B.alpha.N-(22-(4-(Dimethylamino)benzyl)-6-ethyl-10,23-dimethyl-5,8,12,15,17,21,24-heptaoxo-13-phenyldocosahydro-12H-pyrido[2,1-f]pyrrolo[2,1-l][1]oxa[4,7,10,13,16]pentaazacyclononadecin-9-yl)-3-hydroxypicolinamideYGXCETJZBDTKRY-UHFFFAOYSA-NC45H54N8O10MFCD01940050AKOS032945091NS00040645Virginiamycin S1, 4-[4-(dimethylamino)-N-methyl-L-phenylalanine]-N-[3-[[4-(dimethylamino)phenyl]methyl]-12-ethyl-4,16-dimethyl-2,5,11,14,18,21,24-heptaoxo-19-phenyl-17-oxa-1,4,10,13,20-pentazatricyclo[20.4.0.06,10]hexacosan-15-yl]-3-hydroxy-pyridine-2-carboxamideVirginiaMycin B
Show more names
PA 114BNSC 92554mikamycin BMikaMycin IAOstreogrycin BStreptogramin BPristinamycin IAPristinamycin ⅠAPristinaMycin P 1
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 228 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 63
- Formal charge
- 0
- Complexity
- 1,700
Physicochemical properties
- Melting point
- 198 ° · 198°
- alpha
- 22 · D22 -57.5° (c = 0.25 in ethanol)
- Boiling point
- 780.3 °C · 780.3°C (rough estimate)
- Density
- 1.1881 · 1.1881 (rough estimate)
- refractive index
- 1.691 · 1.6910 (estimate)
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 7.2 · pKa 7.20±0.05(H2O,t =25,I=0.2(LiClO4)) (Uncertain)
- color
- Pale Yellow
- FDA UNII
- 50 XJ0NC3I · V50XJ0NC3I
- RIDADR
- 3172 · 3172
- HazardClass
- 6.1 · 6.1(b)
- PackingGroup
- III
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- ridadr
- 3172
- hazard_class
- 6.1(b)
- packing_group
- III
Chemistry & industry
Applications
UsesVirginiamycin 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.
UsesOne of the two major components of Pristinamycin (Pristinamycin IA and Pristinamycin IIA (or Virginiamycin M1-V673810).
Suppliers34 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
MedChemexpress LLC021-58955995 · [email protected]
上海瀚香生物科技有限公司177-54423994 17754423994 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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