MorantelTartrate - 10mM in DMSO , CAS No.26155-31-7

CAS: 26155-31-7 Cat. No.: M580447 Formula: C₁₆H₂₂N₂O₆S Molecular Weight: 370.42 EC Number: 247-481-5

GRADE & PURITY 10mM in DMSO

Synonyms

SCHEMBL117920 | (E)-1-methyl-2-(2-(3-methylthiophen-2-yl)vinyl)-1,4,5,6-tetrahydropyrimidine 2,3-dihydroxysuccinate | NSC-758647 | Prestwick2_000061 | Opera_ID_226 | Morantel tartrate hydrate | CCG-220061 | J-016285 | MORANTEL TARTRATE SALT | SMR000058831

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Morantel tartrate is a broad spectrum anthelmintic, effective and low toxicity.

Specifications

Synonyms

SCHEMBL117920 | (E)-1-methyl-2-(2-(3-methylthiophen-2-yl)vinyl)-1,4,5,6-tetrahydropyrimidine 2,3-dihydroxysuccinate | NSC-758647 | Prestwick2_000061 | Opera_ID_226 | Morantel tartrate hydrate | CCG-220061 | J-016285 | MORANTEL TARTRATE SALT | SMR000058831

Specifications & Purity

10mM in DMSO

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Action Type

INHIBITOR

Names and Identifiers

Canonical Smiles

CC1=C(SC=C1)C=CC2=NCCCN2C.C(C(C(=O)O)O)(C(=O)O)O

IUPAC Name

2,3-dihydroxybutanedioic acid;1-methyl-2-[(E)-2-(3-methylthiophen-2-yl)ethenyl]-5,6-dihydro-4H-pyrimidine

InChIKey

GGXQONWGCAQGNA-FXRZFVDSSA-N

INCHI

1S/C12H16N2S.C4H6O6/c1-10-6-9-15-11(10)4-5-12-13-7-3-8-14(12)2;5-1(3(7)8)2(6)4(9)10/h4-6,9H,3,7-8H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/b5-4+;

Isomeric SMILES

CC1=C(SC=C1)/C=C/C2=NCCCN2C.C(C(C(=O)O)O)(C(=O)O)O

WGK Germany

3

Molecular Weight

370.42

Reaxy-Rn

18959385

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=18959385&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbohydrates and carbohydrate conjugates

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbohydrates and carbohydrate conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Sugar acids and derivatives
• Alternative Parents: Beta hydroxy acids and derivatives Short-chain hydroxy acids and derivatives Alpha hydroxy acids and derivatives Dicarboxylic acids and derivatives Fatty acids and conjugates Hydropyrimidines Imidolactams Monosaccharides Heteroaromatic compounds Thiophenes 1,2-diols Secondary alcohols Carboxylic acids Carboximidamides Carboxamidines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Hydrocarbon derivatives Amines Carbonyl compounds Organic oxides
• Molecular Framework: Not available
• Substituents: Beta-hydroxy acid - Sugar acid - Short-chain hydroxy acid - Alpha-hydroxy acid - Dicarboxylic acid or derivatives - Fatty acid - Hydropyrimidine - Imidolactam - 1,4,5,6-tetrahydropyrimidine - Hydroxy acid - Monosaccharide - Heteroaromatic compound - Thiophene - 1,2-diol - Secondary alcohol - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxide - Organic nitrogen compound - Amine - Hydrocarbon derivative - Carbonyl group - Alcohol - Organonitrogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as sugar acids and derivatives. These are compounds containing a saccharide unit which bears a carboxylic acid group.
• 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)

ERG Tbio Transcriptional regulator ERG (5589 Activities)

Discover Target: ERG

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

MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

Discover Target: MBNL1

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

RAN Tchem GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 (21853 Activities)

Discover Target: RAN

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

Associated Targets(non-human)

Pkm Pyruvate kinase isozymes M1/M2 (66 Activities)

Discover Target: Pkm

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Hsf1 Heat shock factor protein 1 (5445 Activities)

Discover Target: Hsf1

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility Methanol (Slightly), Water (Slightly)
• Melt Point(°C): 164-168°C
• Molecular Weight: 370.400 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 370.12 Da
• Monoisotopic Mass: 370.12 Da
• Topological Polar Surface Area: 159.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 407.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 2
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 2

XLogP3

Frequently Asked Questions

How should this product be stored?

Store at ?80 °C. Ultra-low temperature storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships frozen with dry ice and cold packs. Unpack on arrival and transfer it to the storage condition stated above; handle dry ice with insulated gloves in a ventilated area.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 26155-31-7, the molecular formula is C16H22N2O6S, and the molecular weight is 370.42 g/mol. InChIKey GGXQONWGCAQGNA-FXRZFVDSSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.