Relebactam monohydrate , Beta-lactamase CTX-M inhibitor, CAS No.1174020-13-3, Beta-lactamase CTX-M inhibitor

CAS: 1174020-13-3 Cat. No.: R671293 Molecular Weight: 366.39 EC Number: 813-387-3
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Synonyms
Relebactam [USAN] | CHEMBL3301605 | RECARBRIO COMPONENT RELEBACTAM MONOHYDRATE | Y1MYA2UHFL | MK-7655A COMPONENT RELEBACTAM | (1R,2S,5R)-7-oxo-2-((piperidin-4-yl)carbamoyl)-1,6-diazabicyclo(3.2.1)octan-6-yl hydrogen sulfate monohydrate | UNII-Y1MYA2UHFL |
Storage
Room temperature
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Size
Status
Price
Qty
1mg
R671293-1mg
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$999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
Relebactam [USAN] | CHEMBL3301605 | RECARBRIO COMPONENT RELEBACTAM MONOHYDRATE | Y1MYA2UHFL | MK-7655A COMPONENT RELEBACTAM | (1R, 2S, 5R)-7-oxo-2-((piperidin-4-yl)carbamoyl)-1, 6-diazabicyclo(3.2.1)octan-6-yl hydrogen sulfate monohydrate | UNII-Y1MYA2UHFL |
Storage
Room temperature
Action Type
INHIBITOR
Mechanism of action
Beta-lactamase CTX-M inhibitor
Names and Identifiers
Canonical SmilesC1CC(N2CC1N(C2=O)OS(=O)(=O)O)C(=O)NC3CCNCC3.O
IUPAC Name[(2S,5R)-7-oxo-2-(piperidin-4-ylcarbamoyl)-1,6-diazabicyclo[3.2.1]octan-6-yl] hydrogen sulfate;hydrate
InChIKeyTWFRCSHLWKJBQH-UXQCFNEQSA-N
INCHI1S/C12H20N4O6S.H2O/c17-11(14-8-3-5-13-6-4-8)10-2-1-9-7-15(10)12(18)16(9)22-23(19,20)21;/h8-10,13H,1-7H2,(H,14,17)(H,19,20,21);1H2/t9-,10+;/m1./s1
Isomeric SMILES C1C[C@H](N2C[C@@H]1N(C2=O)OS(=O)(=O)O)C(=O)NC3CCNCC3.O
Molecular Weight 366.39
Reaxy-Rn 19394007
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=19394007&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassAmino acids, peptides, and analogues
Intermediate Tree Nodes Amino acids and derivatives - Alpha amino acids and derivatives
Direct ParentAlpha amino acid amides
Alternative Parents Piperidinecarboxamides  1,3-diazepanes  Imidazolidinones  Organic sulfuric acids and derivatives  Secondary carboxylic acid amides  Dialkylamines  Azacyclic compounds  Organic oxides  Hydrocarbon derivatives  Carbonyl compounds  
Molecular FrameworkAliphatic heteropolycyclic compounds
Substituents Alpha-amino acid amide - Piperidinecarboxamide - 2-piperidinecarboxamide - 1,3-diazepane - Diazepane - Imidazolidinone - Piperidine - Imidazolidine - Organic sulfuric acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
blaZ Beta-lactamase (285 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Hdac6 Histone deacetylase 6 (222 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
blaTEM-1 Beta-lactamase TEM-1 (9 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ari-1 Beta-lactamase OXA-23 (96 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Solution Calculators
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