TLR2-IN-C29 - 10mM in DMSO , CAS No.363600-92-4

CAS: 363600-92-4 Cat. No.: T423632 Formule: C₁₆H₁₅NO₄ Poids moléculaire: 285.29 PubChem CID: 3579893

GRADE & PURITY 10mM in DMSO

Synonyms

PD087010 | Z2140338879 | SCHEMBL13187231 | AKOS002077665 | EN300-218126 | 3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylbenzoic acid | 3-[[(2-hydroxy-3-methoxyphenyl)methylene]amino]-2-methyl-benzoic acid | 3-[[(E)-(5-methoxy-6-oxocyclohexa-2,4-

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Information

TLR2-IN-C29 TLR2-IN-C29 (C29) is a Toll-like receptor 2 (TLR2) inhibitor that inhibits TLR2/1 and TLR2/6 signaling.

Targets

TLR2

Specifications

Synonymes

PD087010 | Z2140338879 | SCHEMBL13187231 | AKOS002077665 | EN300-218126 | 3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylbenzoic acid | 3-[[(2-hydroxy-3-methoxyphenyl)methylene]amino]-2-methyl-benzoic acid | 3-[[(E)-(5-methoxy-6-oxocyclohexa-2,4-

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

TLR2-IN-C29 (C29) is a Toll-like receptor 2 (TLR2) inhibitor that inhibits TLR2/1 and TLR2/6 signaling.

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Propriétés du produit

• ALogP: 3.284
• Nombre de HBD: 1
• Liaison rotative: 4

Noms et identifiants

• Pubchem Sid: 528767412
• Sourires canoniques: CC1=C(C=CC=C1N=CC2=C(C(=CC=C2)OC)O)C(=O)O
• IUPAC Name: 3-[(2-hydroxy-3-methoxyphenyl)methylideneamino]-2-methylbenzoic acid
• InChIKey: WTGMGRFVBFDHGQ-UHFFFAOYSA-N
• INCHI: 1S/C16H15NO4/c1-10-12(16(19)20)6-4-7-13(10)17-9-11-5-3-8-14(21-2)15(11)18/h3-9,18H,1-2H3,(H,19,20)
• Isomères SMILES: CC1=C(C=CC=C1N=CC2=C(C(=CC=C2)OC)O)C(=O)O
• PubChem CID: 3579893
• Poids moléculaire: 285.29

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Benzoic acids Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles 1-carboxy-2-haloaromatic compounds Methyl-branched fatty acids Hydroxy fatty acids Alkyl aryl ethers 1-hydroxy-4-unsubstituted benzenoids Unsaturated fatty acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Aldimines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Benzoic acid - Benzoic acid or derivatives - Phenoxy compound - Methoxybenzene - 1-carboxy-2-haloaromatic compound - Phenol ether - Benzoyl - Anisole - 1-hydroxy-4-unsubstituted benzenoid - Methyl-branched fatty acid - Hydroxy fatty acid - Branched fatty acid - Alkyl aryl ether - Fatty acyl - Fatty acid - Unsaturated fatty acid - Monocyclic benzene moiety - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Aldimine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Imine - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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

Cibles associées (humaines)

TLR2 Tchem Toll-like receptor 2 (975 Activities)

Discover Target: TLR2

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

Cibles associées (non humaines)

Tlr2 TLR2/TLR6 (253 Activities)

Discover Target: Tlr2

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

Mécanismes d'action

Propriétés chimiques et physiques

• DMSO (mg/mL) Solubilité maximale: 57
• DMSO (mM) Solubilité maximale: 199.796698096674
• Eau (mg/mL) Solubilité maximale: ＜1
• Poids moléculaire: 285.290 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 285.1 Da
• Monoisotopic Mass: 285.1 Da
• Topological Polar Surface Area: 79.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 384.000
• 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