Doramectin - 10mM in DMSO , CAS No.117704-25-3

CAS: 117704-25-3 Cat. No.: D420786 Formula: C₅₀H₇₄O₁₄ Peso molecolare: 899.11 Numero EC: 601-490-4 PubChem CID: 9832750

QUALITÀ & PUREZZA 10mM in DMSO

Synonyms

25-cyclohexylavermectin B(1) | DectomaxPour-On | NCGC00185761-01 | Doramectina | 25-cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-Avermectin A1a | 5I+/--Cholestan-3I(2)-ol-6-on | Doramectine [INN-French] | EC 601-490-4 | Cyclohexylavermectin B1 | 5-Choles

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Panoramica

Doramectin is a mutational biosynthetic antiparasitic antibiotic structurally related to the avermectins.
A mutational biosynthetic antiparasitic antibiotic.

Specifiche

Sinonimi

25-cyclohexylavermectin B(1) | DectomaxPour-On | NCGC00185761-01 | Doramectina | 25-cyclohexyl-5-O-demethyl-25-de(1-methylpropyl)-Avermectin A1a | 5I+/--Cholestan-3I(2)-ol-6-on | Doramectine [INN-French] | EC 601-490-4 | Cyclohexylavermectin B1 | 5-Choles

Specifiche e purezza

10mM in DMSO

Meccanismi biochimici e fisiologici

Doramectin is a derivative of ivermectin. It is thought to work like other macrocyclic lactones by opening glutamate-gated chloride channels in the nerve cells, causing paralysis.

Condizioni di conservazione di stoccaggio

Store at -80°C

Spedito in

Dry ice packs + Cold packs

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Nomi e identificatori

Pubchem Sid

528771223

Sorrisi canonici

CC1C=CC=C2COC3C2(C(C=C(C3O)C)C(=O)OC4CC(CC=C(C1OC5CC(C(C(O5)C)OC6CC(C(C(O6)C)O)OC)OC)C)OC7(C4)C=CC(C(O7)C8CCCCC8)C)O

IUPAC Name

(1'R,2R,3S,4'S,6S,8'R,10'E,12'S,13'S,14'E,16'E,20'R,21'R,24'S)-2-cyclohexyl-21',24'-dihydroxy-12'-[(2R,4S,5S,6S)-5-[(2S,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-4-methoxy-6-methyloxan-2-yl]oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-one

InChIKey

QLFZZSKTJWDQOS-YDBLARSUSA-N

INCHI

1S/C50H74O14/c1-27-13-12-16-34-26-57-47-42(51)30(4)21-37(50(34,47)54)48(53)60-36-22-35(63-49(25-36)20-19-29(3)45(64-49)33-14-10-9-11-15-33)18-17-28(2)44(27)61-41-24-39(56-8)46(32(6)59-41)62-40-23-38(55-7)43(52)31(5)58-40/h12-13,16-17,19-21,27,29,31-33,35-47,51-52,54H,9-11,14-15,18,22-26H2,1-8H3/b13-12+,28-17+,34-16+/t27-,29-,31-,32-,35+,36-,37-,38-,39-,40-,41-,42+,43-,44-,45-,46-,47+,49+,50+/m0/s1

Isomeri SMILES

C[C@H]1/C=C/C=C/2\CO[C@H]3[C@@]2([C@@H](C=C([C@H]3O)C)C(=O)O[C@H]4C[C@@H](C/C=C(/[C@H]1O[C@H]5C[C@@H]([C@H]([C@@H](O5)C)O[C@H]6C[C@@H]([C@H]([C@@H](O6)C)O)OC)OC)\C)O[C@]7(C4)C=C[C@@H]([C@H](O7)C8CCCCC8)C)O

WGK Germania

3

PubChem CID

9832750

Peso molecolare

899.11

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Classe Macrolides and analogues

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: Macrolides and analogues
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Macrolides and analogues
• Alternative Parents: Disaccharides O-glycosyl compounds Ketals Oxanes Pyrans Tertiary alcohols Tetrahydrofurans Secondary alcohols Lactones Carboxylic acid esters Oxacyclic compounds Monocarboxylic acids and derivatives Dialkyl ethers Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteropolycyclic compounds
• Substituents: Macrolide - Disaccharide - Glycosyl compound - O-glycosyl compound - Ketal - Oxane - Pyran - Tetrahydrofuran - Tertiary alcohol - Secondary alcohol - Carboxylic acid ester - Lactone - Acetal - Carboxylic acid derivative - Organoheterocyclic compound - Dialkyl ether - Ether - Monocarboxylic acid or derivatives - Oxacycle - Organic oxygen compound - Alcohol - Organic oxide - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Aliphatic heteropolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.
• 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

Obiettivi associati (umani)

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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Obiettivi associati (non umani)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Caenorhabditis elegans (1055 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Meccanismi d'azione

Proprietà chimiche e fisiche

• Peso molecolare: 899.100 g/mol
• XLogP3: 4.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 7
• Exact Mass: 898.508 Da
• Monoisotopic Mass: 898.508 Da
• Topological Polar Surface Area: 170.000 Ų
• Heavy Atom Count: 64
• Formal Charge: 0
• Complexity: 1790.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 19
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 3
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 3
• Covalently-Bonded Unit Count: 1