BIIL260 hydrochloride - Moligand™, ≥98% , Antagonist of BLT 1 receptor, CAS No.204974-93-6, Antagonist of BLT 1 receptor

CAS: 204974-93-6 Cat. No.: B608068 Formula: C₃₀H₃₀N₂O₃ · xHCl Molecular Weight: 466.57 (free base basis) PubChem CID: 9956189

GRADE & PURITY Moligand™, ≥98%

Synonyms

4-((3-((4-(2-(4-Hydroxyphenyl)propan-2-yl)phenoxy)methyl)benzyl)oxy)benzimidamide | UNII-P3C87ZBO3K | BIIL 260 | DTXSID80174475 | P3C87ZBO3K | PDSP2_001224 | Q27075254 | GTPL6154 | 4-[(3-{4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxymethyl}phenyl)methoxy]benz

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

BIIL-260 is a potent leukotriene B(4) receptor LTB4 antagonist, with anti-inflammatory activity. BIIL-260 interacts with the LTB4 receptor in a saturable, reversible, and competitive manner, has high affinity to the LTB4 receptor on isolated human neutrophil cell membranes.

Specifications

Synonyms

4-((3-((4-(2-(4-Hydroxyphenyl)propan-2-yl)phenoxy)methyl)benzyl)oxy)benzimidamide | UNII-P3C87ZBO3K | BIIL 260 | DTXSID80174475 | P3C87ZBO3K | PDSP2_001224 | Q27075254 | GTPL6154 | 4-[(3-{4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxymethyl}phenyl)methoxy]benz

Specifications & Purity

Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

ANTAGONIST

Mechanism of action

Antagonist of BLT 1 receptor

Purity

≥98%

Names and Identifiers

Canonical Smiles

CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCC3=CC=CC(=C3)COC4=CC=C(C=C4)C(=N)N

IUPAC Name

4-[[3-[[4-[2-(4-hydroxyphenyl)propan-2-yl]phenoxy]methyl]phenyl]methoxy]benzenecarboximidamide

InChIKey

MBLJFKQACMILLC-UHFFFAOYSA-N

INCHI

1S/C30H30N2O3/c1-30(2,24-8-12-26(33)13-9-24)25-10-16-28(17-11-25)35-20-22-5-3-4-21(18-22)19-34-27-14-6-23(7-15-27)29(31)32/h3-18,33H,19-20H2,1-2H3,(H3,31,32)

Isomeric SMILES

CC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)OCC3=CC=CC(=C3)COC4=CC=C(C=C4)C(=N)N

Alternate CAS

204974-93-6；192581-24-1

PubChem CID

9956189

Molecular Weight

466.57 (free base basis)

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Phenylpropanes Phenoxy compounds Phenol ethers Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Carboximidamides Carboxamidines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Phenylpropane - Phenol ether - Phenoxy compound - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Carboximidamide - Amidine - Ether - Carboxylic acid amidine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl 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)

LTB4R Tchem Leukotriene B4 receptor 1 (2 Activities)

Discover Target: LTB4R

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

Chemical and Physical Properties

• Sensitivity: Moisture sensitive.
• Molecular Weight: 466.600 g/mol
• XLogP3: 6.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 9
• Exact Mass: 466.226 Da
• Monoisotopic Mass: 466.226 Da
• Topological Polar Surface Area: 88.600 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 644.000
• 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