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Quinupristin (Standard)

CAT: 0804-HY-A0162RSize: 1 EachDry Ice: NoHazardous: No
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Description
Bictegravir (sodium) (Standard) is the analytical standard of Bictegravir (sodium) . This product is intended for research and analytical applications. Bictegravir sodium is a potent inhibitor of HIV-1 integrase, with an IC50 of 7.5 nM. Bictegravir sodium exhibits potent and selective anti-HIV activity and low cytotoxicity[1].
CAS Number
120138-50-3
UNSPSC
12352209
Target
Antibiotic; Bacterial; Reference Standards
Related Pathways
Anti-infection; Others
Field of Research
Infection
Smiles
O=C([C@](N(C([C@@](CCC1)([H])N1C([C@H](NC2=O)CC)=O)=O)C)([H])CC3=CC=C(N(C)C)C=C3)N(C[C@@H](CS[C@H]4C(CC5)CCN5C4)C6=O)[C@](C6)([H])C(N[C@@H](C7=CC=CC=C7)C(O[C@@H]([C@@H]2NC(C(N=CC=C8)=C8O)=O)C)=O)=O
Molecular Formula
C53H67N9O10S
Molecular Weight
1022.22
References & Citations
[1]Gurk-Turner C. Quinupristin/dalfopristin: the first available macrolide-lincosamide-streptogramin antibiotic. Proc (Bayl Univ Med Cent) . 2000 Jan;13 (1) :83-6.|[2]Tantibhedhyangkul W, et al. Anti-Mycoplasma Activity of Daptomycin and Its Use for Mycoplasma Elimination in Cell Cultures of Rickettsiae. Antibiotics (Basel) . 2019 Aug 21;8 (3) .
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Quinupristin

Quinupristin/dalfopristin is a combination of two antibiotics used to treat infections by staphylococci and by vancomycin-resistant Enterococcus faecium. Dalfopristin inhibits the early phase of protein synthesis in the bacterial ribosome and quinupristin inhibits the late phase of protein synthesis. The combination of the two components acts synergistically and is more effective in vitro than each component alone.

CAS Number120138-50-3
PubChem CID5388937
IUPAC NameN-[(3S,6S,12R,15S,16R,19S,22S,25R)-25-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]sulfanylmethyl]-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
Molecular FormulaC53H67N9O10S
Molecular Weight1022.2
XLogP4.2
Topological Polar Surface Area257
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Heavy Atom Count73
Formal Charge0
Complexity2010
SMILES
CC[C@@H]1C(=O)N2CCC[C@H]2C(=O)N([C@H](C(=O)N3C[C@H](C(=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)CS[C@@H]6CN7CCC6CC7)CC8=CC=C(C=C8)N(C)C)C
InChI
InChI=1S/C53H67N9O10S/c1-6-37-50(68)61-23-11-14-38(61)51(69)59(5)40(26-32-16-18-36(19-17-32)58(3)4)52(70)62-28-35(30-73-43-29-60-24-20-33(43)21-25-60)42(64)27-39(62)47(65)57-45(34-12-8-7-9-13-34)53(71)72-31(2)44(48(66)55-37)56-49(67)46-41(63)15-10-22-54-46/h7-10,12-13,15-19,22,31,33,35,37-40,43-45,63H,6,11,14,20-21,23-30H2,1-5H3,(H,55,66)(H,56,67)(H,57,65)/t31-,35+,37-,38+,39+,40+,43-,44+,45+/m1/s1
InChIKey
WTHRRGMBUAHGNI-LCYNINFDSA-N
Chemical Structure
2D Structure
2D structure of Quinupristin
CAS: 120138-50-3
CID: 5388937
Formula: C53H67N9O10S
MW: 1022.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1022.2
XLogP34.2
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count14
Rotatable Bond Count10
Exact Mass1021.47316054
Monoisotopic Mass1021.47316054
Topological Polar Surface Area257 Ų
Heavy Atom Count73
Formal Charge0
Complexity2010
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
GTR18920289-01Quinupristin
Q008-1MGQuinupristin Mesylate
A13658-100Quinupristin 100mg
A13658-50Quinupristin 50mg
A13658-10Quinupristin 10mg
A13658-2Quinupristin 2mg
A13658-1Quinupristin 1mg
MBS5764242Quinupristin (mesylate)

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