Tedizolid Phosphate - ≥98% , Bacterial 70S ribosome inhibitor, CAS No.856867-55-5, Bacterial 70S ribosome inhibitor

CAS: 856867-55-5 Cat. No.: T413160 Formula: C₁₇H₁₆FN₆O₆P Molecular Weight: 450.32 EC Number: 836-194-6 PubChem CID: 11476460

GRADE & PURITY ≥98%

Synonyms

[(5R)-3-{3-Fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxooxazolidin-5-yl]methyl hydrogen phosphate | Tedizolid phosphate [USAN] | A863474 | MFCD28098176 | TEDIZOLID PHOSPHATE [JAN] | (5R)-3-[3-Fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-p

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

Tedizolid (TR-701FA) is an oxazolidinone-class antibiotic. Tedizolid phosphate is a phosphate ester prodrug of the active compound tedizolid.

In vitro

Tedizolid (TR-700, formerly torezolid) is the active moiety of the prodrug tedizolid phosphate (TR-701), a next-generation oxazolidinone, with high potency against Gram-positive species, including methicillin-resistant Staphylococcus aureus (MRSA). Tedizolid is 4-fold more potent than linezolid against PRSP isolates in vitro.

In vivo

Tedizolid has excellent penetration into pulmonary epithelial lining fluid (ELF). Tedizolid phosphate administered to mice orally or intravenously is effective in vivo against systemic infection with PRSP isolates. Oral tedizolid phosphate is also effective in vivo against pneumonia induced with a PSSP strain.

Product Describtion:

Tedizolid phosphate (TR-701FA) is a novel oxazolidinone with activity against Gram-positive pathogens.

Specifications

Synonyms

[(5R)-3-{3-Fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl]phenyl}-2-oxooxazolidin-5-yl]methyl hydrogen phosphate | Tedizolid phosphate [USAN] | A863474 | MFCD28098176 | TEDIZOLID PHOSPHATE [JAN] | (5R)-3-[3-Fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-p

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Tedizolid (TR-701FA) is an oxazolidinone-class antibiotic. Tedizolid phosphate is a phosphate ester prodrug of the active compound tedizolid.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Mechanism of action

Bacterial 70S ribosome inhibitor

Purity

≥98%

Product Properties

ALogP

1.712

Rotatable Bond

6

Names and Identifiers

Pubchem Sid

488197535

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488197535

Canonical Smiles

CN1N=C(N=N1)C2=NC=C(C=C2)C3=C(C=C(C=C3)N4CC(OC4=O)COP(=O)(O)O)F

IUPAC Name

[(5R)-3-[3-fluoro-4-[6-(2-methyltetrazol-5-yl)pyridin-3-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl dihydrogen phosphate

InChIKey

QCGUSIANLFXSGE-GFCCVEGCSA-N

INCHI

1S/C17H16FN6O6P/c1-23-21-16(20-22-23)15-5-2-10(7-19-15)13-4-3-11(6-14(13)18)24-8-12(30-17(24)25)9-29-31(26,27)28/h2-7,12H,8-9H2,1H3,(H2,26,27,28)/t12-/m1/s1

Isomeric SMILES

CN1N=C(N=N1)C2=NC=C(C=C2)C3=C(C=C(C=C3)N4C[C@@H](OC4=O)COP(=O)(O)O)F

PubChem CID

11476460

Molecular Weight

450.32

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Fluorobenzenes Monoalkyl phosphates Oxazolidinones Aryl fluorides Tetrazoles Carbamate esters Heteroaromatic compounds Organic carbonic acids and derivatives Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives Organofluorides Organonitrogen compounds Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyridine - Fluorobenzene - Halobenzene - Monoalkyl phosphate - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Organic phosphoric acid derivative - Oxazolidinone - Phosphoric acid ester - Alkyl phosphate - Benzenoid - Tetrazole - Heteroaromatic compound - Oxazolidine - Carbamic acid ester - Azole - Carbonic acid derivative - Oxacycle - Azacycle - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• External Descriptors: organofluorine compound - carbamate ester - tetrazoles - pyridines - ring assembly - oxazolidinone

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

MAOA Tclin Monoamine oxidase A (11911 Activities)

Discover Target: MAOA

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Homo sapiens (32628 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Staphylococcus aureus (210822 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 22 mg/mL (48.85 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO(mg / mL) Max Solubility: 22
• DMSO(mM) Max Solubility: 48.85414816
• Water(mg / mL) Max Solubility: ＜1
• Molecular Weight: 450.300 g/mol
• XLogP3: 0.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 6
• Exact Mass: 450.085 Da
• Monoisotopic Mass: 450.085 Da
• Topological Polar Surface Area: 153.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 702.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1