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 분자식: C₃₀H₃₀N₂O₃ · xHCl 분자량: 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

개요

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

동의어

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

사양 및 순도

Moligand™, ≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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등급

Moligand™

작업 유형

ANTAGONIST

작동 메커니즘

Antagonist of BLT 1 receptor

순수함

≥98%

이름과 식별자

정식 스마일

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)

이성체 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

대체 CAS

204974-93-6；192581-24-1

PubChem CID

9956189

분자량

466.57 (free base basis)

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

화학 및 물리적 특성

• 감도: Moisture sensitive.
• 분자량: 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