Tolimidone - Moligand™, ≥98%(HPLC) , Allosteric modulator of LYN proto-oncogene; Src family tyrosine kinase, CAS No.41964-07-2, Allosteric modulator of LYN proto-oncogene; Src family tyrosine kinase

CAS: 41964-07-2 Cat. No.: T133701 Molecular Weight: 202.21 EC Number: 803-991-5 PubChem CID: 39065

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

MU3JD8E9IS | s8321 | 5-(3-methylphenoxy)-2(1h)-pyrimidinone | HMS3749I15 | AS-16416 | SMR004704144 | GTPL9433 | 5-(m-tolyloxy)pyrimidin-2(1H)-one | NSC-314335 | TOLIMIDONE | NSC314335 | 5-(m-Tolyloxy)-2(1H)-pyrimidinone | A899682 | AC-37077 | BDBM50545405

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

MU3JD8E9IS | s8321 | 5-(3-methylphenoxy)-2(1h)-pyrimidinone | HMS3749I15 | AS-16416 | SMR004704144 | GTPL9433 | 5-(m-tolyloxy)pyrimidin-2(1H)-one | NSC-314335 | TOLIMIDONE | NSC314335 | 5-(m-Tolyloxy)-2(1H)-pyrimidinone | A899682 | AC-37077 | BDBM50545405

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Selective allosteric activator of Lyn kinase (EC50= 63 nM); displays no significant activity against a range of 47 other kinases, including other Src family kinases such as Fyn, Lck and Src kinase. Reduces blood glucose levels without affectingin vivoinsu

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™

Action Type

ALLOSTERIC MODULATOR

Mechanism of action

Allosteric modulator of LYN proto-oncogene; Src family tyrosine kinase

Purity

≥98%(HPLC)

Product Properties

• ALogP: 1.4

Names and Identifiers

• Pubchem Sid: 504753579
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753579
• Canonical Smiles: CC1=CC(=CC=C1)OC2=CNC(=O)N=C2
• IUPAC Name: 5-(3-methylphenoxy)-1H-pyrimidin-2-one
• InChIKey: HJQILFPVRNHTIG-UHFFFAOYSA-N
• INCHI: 1S/C11H10N2O2/c1-8-3-2-4-9(5-8)15-10-6-12-11(14)13-7-10/h2-7H,1H3,(H,12,13,14)
• Isomeric SMILES: CC1=CC(=CC=C1)OC2=CNC(=O)N=C2
• WGK Germany: 3
• Alternate CAS: 41964-07-2
• PubChem CID: 39065
• NSC Number: 314335
• MeSH Entry Terms: 5-(3-methylphenoxy)-2(1H)-pyrimidinone;MLR-1023
• Molecular Weight: 202.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diarylethers
• Alternative Parents: Phenoxy compounds Phenol ethers Toluenes Pyrimidones Hydropyrimidines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diaryl ether - Phenoxy compound - Phenol ether - Toluene - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Pyrimidine - Heteroaromatic compound - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organopnictogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diarylethers. These are organic compounds containing the dialkyl ether functional group, with the formula ROR', where R and R' are aryl groups.
• 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)

LYN Tclin Tyrosine-protein kinase Lyn (1 Activities)

Discover Target: LYN

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

LYN Tclin Tyrosine-protein kinase Lyn (4251 Activities)

Discover Target: LYN

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Cavia porcellus (23802 Activities)

Explore this target

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

Rattus norvegicus (775804 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 20.22, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 4.04, Max Conc. mM: 20
• Molecular Weight: 202.210 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 202.074 Da
• Monoisotopic Mass: 202.074 Da
• Topological Polar Surface Area: 50.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 310.000
• 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: 1