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

CAS: 363600-92-4 Cat. No.: T423632 Summenformel: C₁₆H₁₅NO₄ Molekulargewicht: 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

Übersicht

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

Synonyme

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-

Spezifikationen & Reinheit

10mM in DMSO

Biochemische und physiologische Mechanismen

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

Storage

Store at -80°C

Verschickt in

Dry ice packs + Cold packs

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Produkteigenschaften

• ALogP: 3.284
• HBD-Zahl: 1
• Rotationsfähige Bindung: 4

Namen und Kennungen

• Pubchem Sid: 528767412
• Kanonisches Lächeln: 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)
• Isomere SMILES: CC1=C(C=CC=C1N=CC2=C(C(=CC=C2)OC)O)C(=O)O
• PubChem CID: 3579893
• Molekulargewicht: 285.29

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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

Zugehörige Ziele (nicht menschlich)

Tlr2 TLR2/TLR6 (253 Activities)

Discover Target: Tlr2

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• DMSO (mg/ml) Maximale Löslichkeit: 57
• DMSO (mM) Maximale Löslichkeit: 199.796698096674
• Wasser (mg/ml) Maximale Löslichkeit: ＜1
• Molekulargewicht: 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