Meropenem trihydrate - 10mM in DMSO , CAS No.119478-56-7

CAS: 119478-56-7 Cat. No.: M420860 분자식: C₁₇H₂₅N₃O₅S·3H₂O 분자량: 437.51 EC 번호: 642-885-1 PubChem CID: 441129

GRADE & PURITY 10mM in DMSO

Synonyms

s4846 | (4R,5S,6S)-3-(((3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid trihydrate | Meropenem trihydrate, European Pharmacopoeia (EP) Reference Standard | 1-Azabicycl

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Meropenem trihydrate is an ultra-broad spectrum beta-lactam antibiotic active against both Gram-positive and Gram-negative bacteria. Meropenem trihydrate (MRP) belongs to the carbapenem group of compounds. It is susceptible to degradation at high temperature and humidity. It is soluble in methanol-water or acetone-water combinations. It is used as an antibacterial agent for treating meningitis and pneumonia.

Specifications

동의어

s4846 | (4R,5S,6S)-3-(((3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid trihydrate | Meropenem trihydrate, European Pharmacopoeia (EP) Reference Standard | 1-Azabicycl

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

Meropenem trihydrate is an ultra-broad spectrum beta-lactam antibiotic active against both Gram-positive and Gram-negative bacteria.Broad-spectrum β-lactam antibiotic. Blood-brain barrier permeable.

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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제품 특성

• ALogP: -2.4

이름과 식별자

• Pubchem Sid: 528774684
• 정식 스마일: CC1C2C(C(=O)N2C(=C1SC3CC(NC3)C(=O)N(C)C)C(=O)O)C(C)O.O.O.O
• IUPAC Name: (4R,5S,6S)-3-[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;trihydrate
• InChIKey: CTUAQTBUVLKNDJ-OBZXMJSBSA-N
• INCHI: 1S/C17H25N3O5S.3H2O/c1-7-12-11(8(2)21)16(23)20(12)13(17(24)25)14(7)26-9-5-10(18-6-9)15(22)19(3)4;;;/h7-12,18,21H,5-6H2,1-4H3,(H,24,25);3*1H2/t7-,8-,9+,10+,11-,12-;;;/m1.../s1
• 이성체 SMILES: C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)C(=O)N(C)C)C(=O)O)[C@@H](C)O.O.O.O
• WGK 독일: 3
• 대체 CAS: 96036-03-2
• PubChem CID: 441129
• 분자량: 437.51

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Lactams
      • Subclass Beta lactams
        • Level5 Carbapenems
          • Level6 Thienamycins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Lactams
• Subclass: Beta lactams
• Intermediate Tree Nodes: Carbapenems
• Direct Parent: Thienamycins
• Alternative Parents: Proline and derivatives Alpha amino acid amides Pyrroline carboxylic acids Pyrrolidinecarboxamides Azepines Vinylogous thioesters Tertiary carboxylic acid amides Thioenol ethers Secondary alcohols Amino acids Azetidines Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Dialkylamines Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Thienamycin - Proline or derivatives - Alpha-amino acid amide - Alpha-amino acid or derivatives - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Vinylogous thioester - Pyrrolidine - Pyrroline - Tertiary carboxylic acid amide - Amino acid or derivatives - Azetidine - Carboxamide group - Amino acid - Thioenolether - Secondary alcohol - Secondary amine - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Amine - Alcohol - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic oxygen compound - Aliphatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as thienamycins. These are beta-lactam antibiotics that differ from penicillins in having the thiazolidine sulfur atom replaced by carbon, the sulfur then becoming the first atom in the side chain.
• External Descriptors: hydrate

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)

Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Proteus vulgaris (5823 Activities)

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Staphylococcus aureus (210822 Activities)

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Escherichia coli (133304 Activities)

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Aspergillus niger (16508 Activities)

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Saccharomyces cerevisiae (19171 Activities)

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Mycolicibacterium smegmatis (8003 Activities)

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Acholeplasma laidlawii (17 Activities)

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Candida albicans (78123 Activities)

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Xanthomonas campestris (200 Activities)

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Bacillus spizizenii (1898 Activities)

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Mucor racemosus (46 Activities)

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작용 메커니즘

화학 및 물리적 특성

• 감도: heat sensitive
• 특정 회전[α]: -18° (C=0.44,H2O)
• 분자량: 437.500 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 5
• Exact Mass: 437.183 Da
• Monoisotopic Mass: 437.183 Da
• Topological Polar Surface Area: 138.000 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 679.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• 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: 4

XLogP3

참고 문헌

1. Greater Kayode Oyejobi, Dongyan Xiong, Mengjuan Shi, Xiaoxu Zhang, Hang Yang, Heng Xue, Faith Ogolla, Hongping Wei.  (2022)  Genetic Signatures from Adaptation of Bacteria to Lytic Phage Identify Potential Agents to Aid Phage-Killing of Multidrug-Resistant Acinetobacter baumannii.  JOURNAL OF BACTERIOLOGY,      [PMID:35156836] [10.1128/jb.00593-21]