Doripenem Hydrate - 10mM in DMSO , CAS No.364622-82-2

CAS: 364622-82-2 Cat. No.: D423634 분자식: C₁₅H₂₄N₄O₆S₂·H₂O 분자량: 438.52 Beilstein Registry Number: 15340136 EC 번호: 680-392-3 PubChem CID: 636377

GRADE & PURITY 10mM in DMSO

Synonyms

CCG-269113 | (4R,5S,6S)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-3-(((3S,5S)-5-((sulfamoylamino)methyl)pyrrolidin-3-yl)thio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate | Doripenem (monohydrate) | MFCD09749887 | Doripenem, Antibiotic for Culture

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

개요

Doripenem is a broad spectrum antibiotic belonging to the class of antibiotics called carbapenems. It Inhibits bacterial cell wall synthesis and causes cell death by binding to and inactivating penicillin-binding proteins (PBPs).
A broad spectrum antibiotic belonging to the class of antibiotics called carbapenems

Specifications

동의어

CCG-269113 | (4R,5S,6S)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-3-(((3S,5S)-5-((sulfamoylamino)methyl)pyrrolidin-3-yl)thio)-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid hydrate | Doripenem (monohydrate) | MFCD09749887 | Doripenem, Antibiotic for Culture

사양 및 순도

10mM in DMSO

생화학 및 생리적 메커니즘

Ultra-broad spectrum carbapenem antibiotic. Inhibits bacterial cell wall synthesis. Shows activity against a wide range of Gram-positive and -negative bacteria (including MDR and β-lactamase-producing strains) as well as anaerobes.

보관 조건

Store at -80°C

배송

Dry ice packs + Cold packs

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작업 유형

INHIBITOR

이름과 식별자

Pubchem Sid

528764310

정식 스마일

CC1C2C(C(=O)N2C(=C1SC3CC(NC3)CNS(=O)(=O)N)C(=O)O)C(C)O.O

IUPAC Name

(4R,5S,6S)-6-[(1R)-1-hydroxyethyl]-4-methyl-7-oxo-3-[(3S,5S)-5-[(sulfamoylamino)methyl]pyrrolidin-3-yl]sulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid;hydrate

InChIKey

NTUBEBXBDGKBTJ-WGLOMNHJSA-N

INCHI

1S/C15H24N4O6S2.H2O/c1-6-11-10(7(2)20)14(21)19(11)12(15(22)23)13(6)26-9-3-8(17-5-9)4-18-27(16,24)25;/h6-11,17-18,20H,3-5H2,1-2H3,(H,22,23)(H2,16,24,25);1H2/t6-,7-,8+,9+,10-,11-;/m1./s1

이성체 SMILES

C[C@@H]1[C@@H]2[C@H](C(=O)N2C(=C1S[C@H]3C[C@H](NC3)CNS(=O)(=O)N)C(=O)O)[C@@H](C)O.O

PubChem CID

636377

분자량

438.52

Beilstein

15340136

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: Alpha amino acids and derivatives Pyrroline carboxylic acids Azepines Vinylogous thioesters Sulfuric acid diamides Tertiary carboxylic acid amides Pyrrolidines 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 - Alpha-amino acid or derivatives - Pyrroline carboxylic acid - Pyrroline carboxylic acid or derivatives - Azepine - Vinylogous thioester - Sulfuric acid diamide - Pyrroline - Pyrrolidine - Tertiary carboxylic acid amide - Organic sulfuric acid or derivatives - Amino acid or derivatives - Azetidine - Thioenolether - Amino acid - Secondary alcohol - Carboxamide group - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Azacycle - Sulfenyl compound - Secondary amine - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Amine - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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: 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

작용 메커니즘

화학 및 물리적 특성

• 감도: Heat Sensitive
• 특정 회전[α]: 34° (C=1,H2O)
• 녹는점(°C): 173 °C(dec.)
• 분자량: 438.500 g/mol
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 438.124 Da
• Monoisotopic Mass: 438.124 Da
• Topological Polar Surface Area: 197.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 780.000
• 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: 2

XLogP3