Delpazolid - Moligand™, ≥98% , Bacterial 70S ribosome inhibitor, CAS No.1219707-39-7, Bacterial 70S ribosome inhibitor

CAS: 1219707-39-7 Cat. No.: D412418 분자식: C₁₄H₁₇FN₄O₃ 분자량: 308.31

GRADE & PURITY Moligand™, ≥98%

Synonyms

2-Oxazolidinone, 3-(4-(5,6-dihydro-1-methyl-1,2,4-triazin-4(1H)-yl)-3-fluorophenyl)-5-(hydroxymethyl)-, (5R)- | 4-Methylbenzenethiol, 98% | (5R)-3-(3-Fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4(1H)-yl)phenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one | (5

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

동의어

2-Oxazolidinone, 3-(4-(5,6-dihydro-1-methyl-1,2,4-triazin-4(1H)-yl)-3-fluorophenyl)-5-(hydroxymethyl)-, (5R)- | 4-Methylbenzenethiol, 98% | (5R)-3-(3-Fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4(1H)-yl)phenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one | (5

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

Delpazolid (LCB01-0371), a novel oxazolidinone antibiotic agent, is an inhibitor of the growth of\xa0MSSA\xa0and\xa0MRSA\xa0with MIC90 of 2 μg/mL for both of them.

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

Bacterial 70S ribosome inhibitor

순수함

≥98%

제품 특성

• ALogP: 0.6

이름과 식별자

• Pubchem Sid: 528771841
• 정식 스마일: CN1CCN(C=N1)C2=C(C=C(C=C2)N3CC(OC3=O)CO)F
• IUPAC Name: (5R)-3-[3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
• InChIKey: QLUWQAFDTNAYPN-LLVKDONJSA-N
• INCHI: 1S/C14H17FN4O3/c1-17-4-5-18(9-16-17)13-3-2-10(6-12(13)15)19-7-11(8-20)22-14(19)21/h2-3,6,9,11,20H,4-5,7-8H2,1H3/t11-/m1/s1
• 이성체 SMILES: CN1CCN(C=N1)C2=C(C=C(C=C2)N3C[C@@H](OC3=O)CO)F
• 분자량: 308.31
• Reaxy-Rn: 55895677
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=55895677&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Aniline and substituted anilines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Aniline and substituted anilines
• Intermediate Tree Nodes: Not available
• Direct Parent: Aniline and substituted anilines
• Alternative Parents: Fluorobenzenes 1,2,4-triazines Oxazolidinones Aryl fluorides Carbamate esters Tertiary amines Amidrazones Oxacyclic compounds Azacyclic compounds Formamidines Hydrazones Organic oxides Carbonyl compounds Hydrocarbon derivatives Organofluorides Primary alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Oxazolidinone - Triazine - 1,2,4-triazine - Oxazolidine - Carbamic acid ester - Tertiary amine - Carboxylic acid amidrazone - Amidine - Oxacycle - Azacycle - Organoheterocyclic compound - Formamidine - Hydrazone - Primary alcohol - Organofluoride - Organohalogen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as aniline and substituted anilines. These are organic compounds containing an aminobenzene moiety.
• External Descriptors: Not available

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

관련 대상(비인간)

Streptococcus pneumoniae (31063 Activities)

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Enterococcus (1748 Activities)

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Staphylococcus aureus (210822 Activities)

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Moraxella catarrhalis (3334 Activities)

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Haemophilus influenzae (8812 Activities)

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Staphylococcus (1598 Activities)

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Streptococcus pyogenes (16140 Activities)

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Enterococcus faecium (13803 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 분자량: 308.310 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 308.128 Da
• Monoisotopic Mass: 308.128 Da
• Topological Polar Surface Area: 68.600 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 450.000
• 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