GYY 4137 - Moligand™, ≥95% , CAS No.106740-09-4

CAS: 106740-09-4 Cat. No.: G275260 Molecular Weight: 376.47

GRADE & PURITY Moligand™, ≥95%

Synonyms

BCP23715 | Morpholine (4-methoxyphenyl)(morpholino)phosphinodithioate | (4-Methoxyphenyl)morpholino-phosphinodithioic acid compound with morpholine | Z3243811329 | GYY 4137 | GYY4137 morpholine salt | GYY 4137 morpholine salt | C11H16NO2PS2.C4H9NO | HB392

Storage

Store at -20°C,Argon charged,Desiccated

Shipped In

Ice chest + Ice pads

Overview

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

BCP23715 | Morpholine (4-methoxyphenyl)(morpholino)phosphinodithioate | (4-Methoxyphenyl)morpholino-phosphinodithioic acid compound with morpholine | Z3243811329 | GYY 4137 | GYY4137 morpholine salt | GYY 4137 morpholine salt | C11H16NO2PS2.C4H9NO | HB392

Specifications & Purity

Moligand™, ≥95%

Biochemical and Physiological Mechanisms

Water-soluble, slow-releasing hydrogen sulfide donor. Inhibits LPS-induced release of proinflammatory intermediates and increases synthesis of IL-10. Exhibits novel anti-cancer effects. Vasodilator and antihypertensive activity. Active in vitro and in viv

Source

Synthetic

Storage

Store at -20°C, Argon charged, Desiccated

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥95%

Names and Identifiers

• Canonical Smiles: COC1=CC=C(C=C1)P(=S)(N2CCOCC2)S.C1COCCN1
• IUPAC Name: (4-methoxyphenyl)-morpholin-4-yl-sulfanyl-sulfanylidene-λ5-phosphane;morpholine
• InChIKey: YZMHNNLDUWRZFW-UHFFFAOYSA-N
• INCHI: 1S/C11H16NO2PS2.C4H9NO/c1-13-10-2-4-11(5-3-10)15(16,17)12-6-8-14-9-7-12;1-3-6-4-2-5-1/h2-5H,6-9H2,1H3,(H,16,17);5H,1-4H2
• Isomeric SMILES: COC1=CC=C(C=C1)P(=S)(N2CCOCC2)S.C1COCCN1
• Molecular Weight: 376.47
• Reaxy-Rn: 22404028
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22404028&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Morpholines Oxacyclic compounds Organothiophosphorus compounds Dialkylamines Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Morpholine - Oxazinane - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Organothiophosphorus compound - Azacycle - Secondary amine - Organoheterocyclic compound - Organonitrogen compound - Organooxygen compound - Organophosphorus compound - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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)

MCF7 (126967 Activities)

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

PC-3 (62116 Activities)

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SK-OV-3 (52876 Activities)

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MDA-MB-231 (73002 Activities)

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Associated Targets(non-human)

H9c2 (3506 Activities)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO: ≥3 mg/mL
• Molecular Weight: 376.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 376.104 Da
• Monoisotopic Mass: 376.104 Da
• Topological Polar Surface Area: 76.100 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 324.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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: 2

XLogP3