cefiderocol - Moligand™, ≥95% , Bacterial penicillin-binding protein inhibitor, CAS No.1225208-94-5, Bacterial penicillin-binding protein inhibitor

CAS: 1225208-94-5 Cat. No.: C608451 Molecular Weight: 752.21 PubChem CID: 77843966
AVAILABLE TO ORDER
GRADE & PURITY Moligand™ ? Moligand™ — Aladdin's line of ligands and bioactive small molecules. Use for receptor, pathway, and binding studies needing defined small-molecule tools. ≥95%
Synonyms
BS-14716 | cefiderocolum | EN300-22213856 | RSC 649266 | (6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[[1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]pyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyc
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1mg
C608451-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$228.90
5mg
C608451-5mg
1
$799.90
10mg
C608451-10mg
1
$1,399.90
Enter a quantity for the sizes you want to add.
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Why this grade

Moligand™, ≥95% Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Overview

Cefiderocol (S-649266) is a siderophore cephalosporin which has a potent activity against a broad range of aerobic Gram-negative bacterial species with MIC50s of 2 μg/mL or less.

Specifications

Synonyms
BS-14716 | cefiderocolum | EN300-22213856 | RSC 649266 | (6R, 7R)-7-[[(2Z)-2-(2-amino-1, 3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[[1-[2-[(2-chloro-3, 4-dihydroxybenzoyl)amino]ethyl]pyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyc
Specifications & Purity
Moligand™, ≥95%
Storage
Store at -20°C, Argon charged
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Grade
Moligand™
Action Type
INHIBITOR
Mechanism of action
Bacterial penicillin-binding protein inhibitor
Purity
≥95%
Product Properties
ALogP1
Names and Identifiers
Canonical SmilesCC(C)(C(=O)O)ON=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)C[N+]4(CCCC4)CCNC(=O)C5=C(C(=C(C=C5)O)O)Cl)C(=O)[O-]
IUPAC Name(6R,7R)-7-[[(2Z)-2-(2-amino-1,3-thiazol-4-yl)-2-(2-carboxypropan-2-yloxyimino)acetyl]amino]-3-[[1-[2-[(2-chloro-3,4-dihydroxybenzoyl)amino]ethyl]pyrrolidin-1-ium-1-yl]methyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate
InChIKeyDBPPRLRVDVJOCL-FQRUVTKNSA-N
INCHI1S/C30H34ClN7O10S2/c1-30(2,28(46)47)48-36-19(16-13-50-29(32)34-16)24(42)35-20-25(43)37-21(27(44)45)14(12-49-26(20)37)11-38(8-3-4-9-38)10-7-33-23(41)15-5-6-17(39)22(40)18(15)31/h5-6,13,20,26H,3-4,7-12H2,1-2H3,(H7-,32,33,34,35,36,39,40,41,42,44,45,46,47)/t20-,26-/m1/s1
Isomeric SMILES CC(C)(C(=O)O)O/N=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)C[N+]4(CCCC4)CCNC(=O)C5=C(C(=C(C=C5)O)O)Cl)C(=O)[O-]
Alternate CAS 1225208-94-5
PubChem CID 77843966
MeSH Entry Terms cefiderocol;S-649266
Molecular Weight 752.21

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
SuperclassOrganoheterocyclic compounds
ClassLactams
SubclassBeta lactams
Intermediate Tree Nodes Cephems - Cephalosporins
Direct Parent3'-quaternary ammonium cephalosporins
Alternative Parents N-acyl-alpha amino acids and derivatives  2-halobenzoic acids and derivatives  Benzamides  3-chlorocatechols  Benzoyl derivatives  M-chlorophenols  O-chlorophenols  Chlorobenzenes  1-hydroxy-2-unsubstituted benzenoids  1-hydroxy-4-unsubstituted benzenoids  2,4-disubstituted thiazoles  1,3-thiazines  Aryl chlorides  Dicarboxylic acids and derivatives  2-amino-1,3-thiazoles  N-alkylpyrrolidines  Tetraalkylammonium salts  Heteroaromatic compounds  Tertiary carboxylic acid amides  Vinylogous halides  Azetidines  Amino acids  Secondary carboxylic acid amides  Carboxylic acid salts  Thiohemiaminal derivatives  Dialkylthioethers  Carboxylic acids  Azacyclic compounds  Hydrocarbon derivatives  Organic oxides  Organic salts  Primary amines  Organochlorides  Organic zwitterions  Carbonyl compounds  
Molecular FrameworkAromatic heteropolycyclic compounds
Substituents 3'-quaternary ammonium cephalosporin - N-acyl-alpha amino acid or derivatives - 2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Alpha-amino acid or derivatives - Benzamide - 3-chlorocatechol - Chlorocatechol - Benzoic acid or derivatives - 2-chlorophenol - 3-chlorophenol - 2-halophenol - 3-halophenol - Benzoyl - Catechol - 2,4-disubstituted 1,3-thiazole - 1-hydroxy-2-unsubstituted benzenoid - Halobenzene - Phenol - Chlorobenzene - 1-hydroxy-4-unsubstituted benzenoid - Benzenoid - Aryl chloride - N-alkylpyrrolidine - Monocyclic benzene moiety - Meta-thiazine - Aryl halide - Dicarboxylic acid or derivatives - 1,3-thiazol-2-amine - Tetraalkylammonium salt - Heteroaromatic compound - Vinylogous halide - Thiazole - Tertiary carboxylic acid amide - Quaternary ammonium salt - Pyrrolidine - Azole - Amino acid or derivatives - Carboxamide group - Carboxylic acid salt - Secondary carboxylic acid amide - Amino acid - Azetidine - Hemithioaminal - Dialkylthioether - Thioether - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organic nitrogen compound - Carbonyl group - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Primary amine - Organic zwitterion - Organic salt - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 3'-quaternary ammonium cephalosporins. These are cephalosporins that are substituted at the 3'-position by a quaternary ammonium group.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 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
Klebsiella sp. (156 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Enterococcus faecium (13803 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Stenotrophomonas maltophilia (1743 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Enterobacter sp. (336 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:

Find and download the COA for your product by matching the lot number on the packaging.

4 results found

Lot NumberCertificate TypeDateItem
J2421458Certificate of AnalysisJul 08, 2024 C608451
J2421459Certificate of AnalysisJul 08, 2024 C608451
J2421460Certificate of AnalysisJul 08, 2024 C608451
J2421464Certificate of AnalysisJul 08, 2024 C608451
Chemical and Physical Properties
Molecular Weight752.200 g/mol
XLogP31.000
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count15
Rotatable Bond Count12
Exact Mass751.15 Da
Monoisotopic Mass751.15 Da
Topological Polar Surface Area310.000 Ų
Heavy Atom Count50
Formal Charge0
Complexity1440.000
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds1
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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