Narasin from Streptomyces auriofaciens - Moligand™, ≥98%(HPLC) , CAS No.55134-13-9

CAS: 55134-13-9 Cat. No.: N464950 Molecular Weight: 765.03 EC Number: 611-230-1

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

DZY9VU539P | Narasin A | Narasine [INN-French] | C-7819B | Compound 79891 | narasina | DTXSID2046707 | Narasin (USP/INN) | NARASIN [MI] | GTPL10835 | 4-Methylsalinomycin | NARASIN (USP-RS) | NARASIN [USP IMPURITY] | Narasino (INN-Spanish) | Q2104314 | HY-

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Description

Narasin is a growth-promoting ionophoric antibacterial agent forEnterococci, specificallyEnterococcus faeciumandEnterococcus faecalis. It inhibits coccidial infection in poultry and mammals and is used in studies involving sodium calcium ion exchange.

Specifications

Synonyms

DZY9VU539P | Narasin A | Narasine [INN-French] | C-7819B | Compound 79891 | narasina | DTXSID2046707 | Narasin (USP/INN) | NARASIN [MI] | GTPL10835 | 4-Methylsalinomycin | NARASIN (USP-RS) | NARASIN [USP IMPURITY] | Narasino (INN-Spanish) | Q2104314 | HY-

Specifications & Purity

Moligand™, ≥98%(HPLC)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Grade

Moligand™

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: CCC(C1C(CC(C(O1)C(C)C(C(C)C(=O)C(CC)C2C(CC(C3(O2)C=CC(C4(O3)CCC(O4)(C)C5CCC(C(O5)C)(CC)O)O)C)C)O)C)C)C(=O)O
• IUPAC Name: (2R)-2-[(2R,3S,5S,6R)-6-[(2S,3S,4S,6R)-6-[(3S,5S,7R,9S,10S,12R,15R)-3-[(2R,5R,6S)-5-ethyl-5-hydroxy-6-methyloxan-2-yl]-15-hydroxy-3,10,12-trimethyl-4,6,8-trioxadispiro[4.1.57.35]pentadec-13-en-9-yl]-3-hydroxy-4-methyl-5-oxooctan-2-yl]-3,5-dimethyloxan-2-yl]butanoic acid
• InChIKey: VHKXXVVRRDYCIK-CWCPJSEDSA-N
• INCHI: 1S/C43H72O11/c1-12-30(35(46)27(8)34(45)28(9)36-23(4)21-24(5)37(51-36)31(13-2)39(47)48)38-25(6)22-26(7)42(52-38)18-15-32(44)43(54-42)20-19-40(11,53-43)33-16-17-41(49,14-3)29(10)50-33/h15,18,23-34,36-38,44-45,49H,12-14,16-17,19-22H2,1-11H3,(H,47,48)/t23-,24-,25-,26+,27-,28-,29-,30-,31+,32+,33+,34+,36+,37+,38-,40-,41+,42-,43-/m0/s1
• Isomeric SMILES: CC[C@H]([C@H]1[C@H](C[C@@H]([C@@H](O1)[C@@H](C)[C@@H]([C@H](C)C(=O)[C@H](CC)[C@@H]2[C@H](C[C@H]([C@]3(O2)C=C[C@H]([C@@]4(O3)CC[C@@](O4)(C)[C@H]5CC[C@@]([C@@H](O5)C)(CC)O)O)C)C)O)C)C)C(=O)O
• UN Number: 2811
• Packing Group: II
• Molecular Weight: 765.03
• Reaxy-Rn: 1678311
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1678311&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Prenol lipids
      • Subclass Terpene glycosides

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Prenol lipids
• Subclass: Terpene glycosides
• Intermediate Tree Nodes: Not available
• Direct Parent: Diterpene glycosides
• Alternative Parents: Diterpenoids Fatty alcohols Branched fatty acids Heterocyclic fatty acids Hydroxy fatty acids Ketals Beta-hydroxy ketones Oxanes Pyrans Tertiary alcohols Tetrahydrofurans Secondary alcohols Monocarboxylic acids and derivatives Dialkyl ethers Carboxylic acids Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Diterpene glycoside - Diterpenoid - Fatty alcohol - Ketal - Branched fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Beta-hydroxy ketone - Fatty acyl - Pyran - Oxane - Tetrahydrofuran - Tertiary alcohol - Secondary alcohol - Ketone - Acetal - Organoheterocyclic compound - Ether - Oxacycle - Dialkyl ether - Carboxylic acid - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alcohol - Aliphatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as diterpene glycosides. These are diterpenoids in which an isoprene unit is glycosylated.
• 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)

ACHE Tclin Acetylcholinesterase (18204 Activities)

Discover Target: ACHE

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

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

Associated Targets(non-human)

Leishmania donovani (89745 Activities)

Explore this target

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

BCHE Cholinesterase (8742 Activities)

Discover Target: BCHE

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: methanol: soluble 20mg/mL
• Molecular Weight: 765.000 g/mol
• XLogP3: 6.200
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 12
• Exact Mass: 764.507 Da
• Monoisotopic Mass: 764.507 Da
• Topological Polar Surface Area: 161.000 Ų
• Heavy Atom Count: 54
• Formal Charge: 0
• Complexity: 1360.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 19
• 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: 1

References

1. Chun Luo, Wendong Liang, Xin Chen, Jianming Wang, Zongwu Deng, Hailu Zhang.  (2018)  Pharmaceutical cocrystals of naringenin with improved dissolution performance.  CRYSTENGCOMM,  20  (22): (3025-3033).  [PMID:] [10.1039/C8CE00341F]