isepamicin - Moligand™ , CAS No.58152-03-7

CAS: 58152-03-7 Cat. No.: I611161 EC Number: 261-143-4 PubChem CID: 3037209
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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.
Synonyms
Isepalline | Isepamicinsulphate | (S)-O-6-Amino-6-deoxy-alpha-D-glucopyranosyl-(1.4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1.6))-1,3-diamino-N1-(3-aminolactoyl)-1,2,3-trideoxy-D-scyllo-inositol | CCRIS 1919 | (2S)-3-amino-N-[(1R,2
Storage
Room temperature
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Size
Status
Price
Qty
5mg
I611161-5mg
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$922.90
25mg
I611161-25mg
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$1,714.90

$2,770.90
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Why this grade

Moligand™ Moligand™ for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships 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.

Specifications

Synonyms
Isepalline | Isepamicinsulphate | (S)-O-6-Amino-6-deoxy-alpha-D-glucopyranosyl-(1.4)-O-(3-deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1.6))-1, 3-diamino-N1-(3-aminolactoyl)-1, 2, 3-trideoxy-D-scyllo-inositol | CCRIS 1919 | (2S)-3-amino-N-[(1R, 2
Specifications & Purity
Moligand™
Storage
Room temperature
Grade
Moligand™
Names and Identifiers
Canonical SmilesCC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(C(C(C(O3)CN)O)O)O)N)NC(=O)C(CN)O)O
IUPAC Name(2S)-3-amino-N-[(1R,2S,3S,4R,5S)-5-amino-4-[(2R,3R,4S,5S,6R)-6-(aminomethyl)-3,4,5-trihydroxyoxan-2-yl]oxy-2-[(2R,3R,4R,5R)-3,5-dihydroxy-5-methyl-4-(methylamino)oxan-2-yl]oxy-3-hydroxycyclohexyl]-2-hydroxypropanamide
InChIKeyUDIIBEDMEYAVNG-ZKFPOVNWSA-N
INCHI1S/C22H43N5O12/c1-22(35)6-36-20(15(33)18(22)26-2)39-17-8(27-19(34)9(28)4-23)3-7(25)16(14(17)32)38-21-13(31)12(30)11(29)10(5-24)37-21/h7-18,20-21,26,28-33,35H,3-6,23-25H2,1-2H3,(H,27,34)/t7-,8+,9-,10+,11+,12-,13+,14-,15+,16+,17-,18+,20+,21+,22-/m0/s1
Isomeric SMILES C[C@@]1(CO[C@@H]([C@@H]([C@H]1NC)O)O[C@H]2[C@@H](C[C@@H]([C@H]([C@@H]2O)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CN)O)O)O)N)NC(=O)[C@H](CN)O)O
Alternate CAS 58152-03-7
PubChem CID 3037209
MeSH Entry Terms HAPA-B;Is\u00e9palline;Isepacin;isepamicin;isepamicin disulfate;isepamicin monosulfate;isepamicin sulfate;N-(S-3-amino-2-hydroxypropionyl)gentamicin;Sch 21420;Sch-21420

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ Certificate of Analysis (COA)

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

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic oxygen compounds
ClassOrganooxygen compounds
SubclassCarbohydrates and carbohydrate conjugates
Intermediate Tree Nodes Aminosaccharides - Aminoglycosides - Aminocyclitol glycosides
Direct Parent2-deoxystreptamine aminoglycosides
Alternative Parents O-glycosyl compounds  Beta amino acids and derivatives  Aminocyclitols and derivatives  Cyclohexylamines  Cyclohexanols  Oxanes  Monosaccharides  Tertiary alcohols  Secondary carboxylic acid amides  1,2-aminoalcohols  Polyols  Oxacyclic compounds  Acetals  Dialkylamines  Carbonyl compounds  Hydrocarbon derivatives  Monoalkylamines  Organic oxides  Organopnictogen compounds  
Molecular FrameworkAliphatic heteromonocyclic compounds
Substituents 2-deoxystreptamine aminoglycoside - O-glycosyl compound - Glycosyl compound - Beta amino acid or derivatives - Aminocyclitol or derivatives - Cyclohexylamine - Cyclohexanol - Monosaccharide - Oxane - Cyclitol or derivatives - Tertiary alcohol - Cyclic alcohol - Secondary carboxylic acid amide - Secondary alcohol - 1,2-aminoalcohol - Amino acid or derivatives - Carboxamide group - Acetal - Oxacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary amine - Polyol - Secondary aliphatic amine - Alcohol - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Amine - Primary amine - Organopnictogen compound - Organic oxide - Organonitrogen compound - Primary aliphatic amine - Aliphatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as 2-deoxystreptamine aminoglycosides. These are aminoglycosides containing the 2-deoxystreptamine (1,3-diaminocyclohexane-4,5,6-triol) core.
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
Enterobacter cloacae (7976 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
Citrobacter freundii (1864 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Serratia marcescens (3237 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mycolicibacterium fortuitum (1335 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Enterococcus faecalis (29875 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mycobacteroides chelonae (540 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter lwoffii (550 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
LLC-PK1 (2135 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
rep Replicase polyprotein 1ab (378 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mycobacteroides abscessus (2066 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nocardia farcinica (74 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:
Chemical and Physical Properties
Molecular Weight569.600 g/mol
XLogP3-6.900
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count16
Rotatable Bond Count9
Exact Mass569.291 Da
Monoisotopic Mass569.291 Da
Topological Polar Surface Area298.000 Ų
Heavy Atom Count39
Formal Charge0
Complexity817.000
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
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