Spectinomycin dihydrochloride pentahydrate - BioReagent, for cell culture, Powder , CAS No.22189-32-8

CAS: 22189-32-8 Cat. No.: S477715 Molecular Weight: 495.35 EC Number: 606-950-8 PubChem CID: 30971

GRADE & PURITY BioReagent, for Cell culture, Powder

Synonyms

Spectinomycin dihydrochloride pentahydrate, >=98.0% (AT) | Spectinomycin hydrochloride [USAN:USP:JAN] | 4H-Pyrano(2,3-b)(1,4)benzodioxin-4-one, decahydro-4a,7,9-trihydroxy-2-methyl-6,8-bis(methylamino)-, Dihydrochloride,(2R,4aR,5aR,6S,7S,8R,9S,9aR,10aS)-

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Chemical structure: aminoglycosideSpectinomycin has generally been used for the treatment of gonorrhea in males, and a study conducted shows that spectinomycin dihydrochloride pentahydrate provides effective treatment against gonorrhea as well. Clinically, spectinomycin dihydrochloride pentahydrate is easier to use in injections as it shows higher solubility than spectinomycin.Spectinomycin is an aminocyclitol antibiotic derived fromStreptomyces spectabilis. It has been shown to have a wide variety of uses, including treating acute gonorrheal urethritis and cervictis, to mark cell layers to monitor cell fate during leaf development, as a selection marker in plant related transformation systems for plant cells containing the marker gene Spcr, to study respiratory tract infections of cattle caused byPasteurella multocidaandMannheimia haemolytica,and to generate plants deficient for the plastid-encoded RNA polymerase on MS-agar media. Spectinomycin also has use in amplification of low copy number plasmid carrying replicons. It is recommended for use in cell culture applications at 7.5-20 mg/L.Spectinomycin dihydrochloride pentahydrate has been used as a supplement in different types of media.

Specifications

Synonyms

Spectinomycin dihydrochloride pentahydrate, >=98.0% (AT) | Spectinomycin hydrochloride [USAN:USP:JAN] | 4H-Pyrano(2, 3-b)(1, 4)benzodioxin-4-one, decahydro-4a, 7, 9-trihydroxy-2-methyl-6, 8-bis(methylamino)-, Dihydrochloride, (2R, 4aR, 5aR, 6S, 7S, 8R, 9S, 9aR, 10aS)-

Specifications & Purity

BioReagent, for cell culture, Powder

Biochemical and Physiological Mechanisms

Mode of Action: Spectinomycin acts by inhibiting protein synthesis and elongation by binding to the bacterial 30S ribosomal subunit and interfering with peptidyl tRNA translocation.Mode of Resistance: A mutation in rpsE, the gene for ribosomal protein S

Storage

Protected from light, Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

BioReagent, for Cell culture

Note

Keep container tightly closed in a dry and well-ventilated place. Keep in a dry place.

Names and Identifiers

• Pubchem Sid: 504753419
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753419
• Canonical Smiles: CC1CC(=O)C2(C(O1)OC3C(C(C(C(C3O2)NC)O)NC)O)O.O.O.O.O.O.Cl.Cl
• IUPAC Name: (1R,3S,5R,8R,10R,11S,12S,13R,14S)-8,12,14-trihydroxy-5-methyl-11,13-bis(methylamino)-2,4,9-trioxatricyclo[8.4.0.03,8]tetradecan-7-one;pentahydrate;dihydrochloride
• InChIKey: DCHJOVNPPSBWHK-UXXUFHFZSA-N
• INCHI: 1S/C14H24N2O7.2ClH.5H2O/c1-5-4-6(17)14(20)13(21-5)22-12-10(19)7(15-2)9(18)8(16-3)11(12)23-14;;;;;;;/h5,7-13,15-16,18-20H,4H2,1-3H3;2*1H;5*1H2/t5-,7-,8+,9+,10+,11-,12-,13+,14+;;;;;;;/m1......./s1
• Isomeric SMILES: C[C@@H]1CC(=O)[C@]2([C@@H](O1)O[C@@H]3[C@H]([C@@H]([C@@H]([C@@H]([C@H]3O2)NC)O)NC)O)O.O.O.O.O.O.Cl.Cl
• WGK Germany: 2
• Alternate CAS: 1695-77-8；21736-83-4
• PubChem CID: 30971
• Molecular Weight: 495.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Dioxanes
      • Subclass 1,4-dioxanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Dioxanes
• Subclass: 1,4-dioxanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-dioxanes
• Alternative Parents: Oxanes Secondary alcohols Ketones Hemiacetals Cyclic alcohols and derivatives 1,2-aminoalcohols Polyols Oxacyclic compounds Dialkylamines Acetals Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Para-dioxane - Oxane - Cyclic alcohol - 1,2-aminoalcohol - Hemiacetal - Secondary alcohol - Ketone - Acetal - Secondary aliphatic amine - Oxacycle - Secondary amine - Polyol - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrochloride - Hydrocarbon derivative - Organic oxide - Carbonyl group - Amine - Alcohol - Organopnictogen compound - Organic oxygen compound - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,4-dioxanes. These are organic compounds containing 1,4-dioxane, an aliphatic six-member ring with two oxygen atoms in ring positions 1 and 4.
• External Descriptors: hydrate - hydrochloride

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(non-human)

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.Soluble in water, methanol, dimethyl sulfoxide, ethanol and dimethyl formamide.
• Sensitivity: Light sensitive；Heat sensitive
• Specific Rotation[α]: +15.0°～ +21.0°
• Melt Point(°C): 207°C
• Molecular Weight: 495.300 g/mol
• Hydrogen Bond Donor Count: 12
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 2
• Exact Mass: 494.165 Da
• Monoisotopic Mass: 494.165 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 478.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 9
• 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: 8

XLogP3

References

1. Zhongnan Huang, Zhenglian Li, Yao Chen, Luyao Xu, Qianlong Xie, Haohua Deng, Wei Chen, Huaping Peng.  (2021)  Regulating Valence States of Gold Nanocluster as a New Strategy for the Ultrasensitive Electrochemiluminescence Detection of Kanamycin.  ANALYTICAL CHEMISTRY,      [PMID:33661613] [10.1021/acs.analchem.1c00063]