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

CAS: 117704-25-3 Cat. No.: D420786 Peso molecular: 899.11 Número EC: 601-490-4 PubChem CID: 9832750

GRADE & PURITY 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

Descripción general

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

Specifications

Sinónimos

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

Especificaciones y pureza

10mM in DMSO

Mecanismos bioquímicos y fisiológicos

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.

Condiciones de almacenamiento de almacenamiento

Store at -80°C

Enviado en

Dry ice packs + Cold packs

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Nombres e identificadores

• Sonrisas canónicas: 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
• Isómeros 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 Alemania: 3
• PubChem CID: 9832750
• Peso molecular: 899.11

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Caenorhabditis elegans (1055 Activities)

Explore this target

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

Tetranychus urticae (2600 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 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

Referencias

1. Gu Yu-Xin, Yan Tian-Ci, Yue Zi-Xuan, Li Min-Hui, Zheng Hui, Wang Shu-Ling, Cao Jun.  (2022)  Dispersive Micro-solid-Phase Extraction of Acaricides from Fruit Juice and Functional Food Using Cucurbituril as Sorbent.  Food Analytical Methods,  15  (5): (1356-1367).  [PMID:] [10.1007/s12161-021-02209-8]

2. Wang Yuanshan, Gong Meihua, Wang Xianlin, Peng Xiaolun, Wang Yuwei, Guan Jiahui, Cheng Dongyuan, Weng Chunyue, Zheng Yuguo.  (2020)  Efficient degradation of ivermectin by newly isolated Aeromonas taiwanensis ZJB-18,044.  BIODEGRADATION,  31  (4): (275-288).  [PMID:32936376] [10.1007/s10532-020-09909-8]

3. Guanqiong Na, Xiaofei Hu, Yaning Sun, Sharon Kwee, Guangxu Xing, Yunrui Xing, Gaiping Zhang.  (2020)  A highly sensitive monoclonal antibody−based paper sensor for simultaneously detecting valnemulin and tiamulin in porcine liver.  JOURNAL OF FOOD SCIENCE,  85  (6): (1681-1688).  [PMID:32418205] [10.1111/1750-3841.15136]

4. Jiawen Ji, Siyue Zhu, Xinping Hu, Jianhui Zhu, Sen Pang, Yongqiang Ma, Xuefeng Li.  (2025)  Enhanced residual risk of abamectin induced by 6PPD: in water, soil, and vegetables.  Environmental Science-Processes & Impacts,      [PMID:40099488] [10.1039/D5EM00053J]

5. Yi Li, Long Gong, Jing Wu, Wesley Hung, Mei Zhen, Shangbang Gao.  (2025)  UBR-1 deficiency leads to ivermectin resistance in Caenorhabditis elegans.  eLife,      [PMID:40167441] [10.7554/eLife.103718]

6. Mengfan Hu, Huan Xu, Yihong Li, Ziru Lian.  (2025)  ZnO-based molecularly imprinted fluorescence nanoprobe for selective recognition and ratiometric quantification of pectenotoxin2 in seawater.  MICROCHEMICAL JOURNAL,      [PMID:] [10.1016/j.microc.2025.115627]