Sisomicin sulfate - Moligand™,≥98% , CAS No.53179-09-2

CAS: 53179-09-2 Cat. No.: S303909 Molecular Weight: 692.72 EC Number: 258-414-4 PubChem CID: 439243

GRADE & PURITY Moligand™, ≥98%

Synonyms

SISOMICIN SULFATE [MART.] | O-3-Deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-4)-O-(2,6-diamino-2,3,4,6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-6))-2-deoxy-L-streptamine sulfate (2:5) (salt) | UNII-K14444371C | Sisomicin sulfate sal

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Sisomicin sulfate is a broad-spectrum aminoglycoside antibiotic produced by Micromonospora inyoensis. Sisomicin sulfate is highly active against Gram-positive bacteria.

Specifications

Synonyms

SISOMICIN SULFATE [MART.] | O-3-Deoxy-4-C-methyl-3-(methylamino)-beta-L-arabinopyranosyl-(1-4)-O-(2, 6-diamino-2, 3, 4, 6-tetradeoxy-alpha-D-glycero-hex-4-enopyranosyl-(1-6))-2-deoxy-L-streptamine sulfate (2:5) (salt) | UNII-K14444371C | Sisomicin sulfate sal

Specifications & Purity

Moligand™, ≥98%

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504758695
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504758695
• Canonical Smiles: CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)N)N)N)O.CC1(COC(C(C1NC)O)OC2C(CC(C(C2O)OC3C(CC=C(O3)CN)N)N)N)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O
• IUPAC Name: (2R,3R,4R,5R)-2-[(1S,2S,3R,4S,6R)-4,6-diamino-3-[[(2S,3R)-3-amino-6-(aminomethyl)-3,4-dihydro-2H-pyran-2-yl]oxy]-2-hydroxycyclohexyl]oxy-5-methyl-4-(methylamino)oxane-3,5-diol;sulfuric acid
• InChIKey: CIKNYWFPGZCHDL-ZHFUJENKSA-N
• INCHI: 1S/2C19H37N5O7.5H2O4S/c2*1-19(27)7-28-18(13(26)16(19)24-2)31-15-11(23)5-10(22)14(12(15)25)30-17-9(21)4-3-8(6-20)29-17;5*1-5(2,3)4/h2*3,9-18,24-27H,4-7,20-23H2,1-2H3;5*(H2,1,2,3,4)/t2*9-,10+,11-,12+,13-,14-,15+,16-,17-,18-,19+;;;;;/m11...../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](CC=C(O3)CN)N)N)N)O.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](CC=C(O3)CN)N)N)N)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O.OS(=O)(=O)O
• PubChem CID: 439243
• Molecular Weight: 692.72

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates
        • Level5 Aminosaccharides
          • Level6 Aminoglycosides
            • Level7 Aminocyclitol glycosides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Aminosaccharides - Aminoglycosides
• Direct Parent: Aminocyclitol glycosides
• Alternative Parents: O-glycosyl compounds Aminocyclitols and derivatives Cyclohexanols Cyclohexylamines Oxanes Monosaccharides Organic sulfuric acids Tertiary alcohols 1,2-aminoalcohols Acetals Dialkylamines Oxacyclic compounds Monoalkylamines Hydrocarbon derivatives Organopnictogen compounds Organic oxides
• Molecular Framework: Not available
• Substituents: Amino cyclitol glycoside - Glycosyl compound - O-glycosyl compound - Aminocyclitol or derivatives - Cyclohexanol - Cyclohexylamine - Sulfuric acid - Cyclitol or derivatives - Monosaccharide - Oxane - Organic sulfuric acid or derivatives - Tertiary alcohol - Cyclic alcohol - Secondary alcohol - 1,2-aminoalcohol - Secondary amine - Organoheterocyclic compound - Acetal - Oxacycle - Secondary aliphatic amine - Alcohol - Organic oxide - Hydrocarbon derivative - Primary aliphatic amine - Organopnictogen compound - Organic nitrogen compound - Amine - Primary amine - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as aminocyclitol glycosides. These are organic compounds containing an amicocyclitol moiety glycosidically linked to a carbohydrate moiety. There are two major classes of aminoglycosides containing a 2-streptamine core. They are called 4,5- and 4,6-disubstituted 2-deoxystreptamines.
• 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

Associated Targets(Human)

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water
• Sensitivity: Air Sensitive；Heat Sensitive；Moisture Sensitive
• Specific Rotation[α]: 100° (C=1,H2O)
• Boil Point(°C): 155 °C
• Melt Point(°C): 73 °C
• Molecular Weight: 1385.500 g/mol
• Hydrogen Bond Donor Count: 26
• Hydrogen Bond Acceptor Count: 44
• Rotatable Bond Count: 12
• Exact Mass: 1384.38 Da
• Monoisotopic Mass: 1384.38 Da
• Topological Polar Surface Area: 842.000 Ų
• Heavy Atom Count: 87
• Formal Charge: 0
• Complexity: 724.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 22
• 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: 7

XLogP3

References

1. Wang Chengke, Tan Rong, Li Jiangyu, Zhang Zexiang.  (2019)  Double Magnetic Separation-assisted Fluorescence Method for Sensitive Detection of Ochratoxin A.  CHEMICAL RESEARCH IN CHINESE UNIVERSITIES,  35  (3): (382-389).  [PMID:] [10.1007/s40242-019-8322-3]

2. Chengke Wang, Dan Chen, Qingqing Wang, Rong Tan.  (2016)  Kanamycin detection based on the catalytic ability enhancement of gold nanoparticles.  BIOSENSORS & BIOELECTRONICS,      [PMID:28013021] [10.1016/j.bios.2016.12.042]