BAY-X 1005 - Moligand™, ≥98%(HPLC) , 5-lipoxygenase activating protein inhibitor, CAS No.128253-31-6, 5-lipoxygenase activating protein inhibitor

CAS: 128253-31-6 Cat. No.: B288165 Summenformel: C₂₃H₂₃NO₃ Molekulargewicht: 361.43 EG-Nummer: 802-979-7

QUALITÄT & REINHEIT Moligand™, ≥98%(HPLC)

Synonyms

(2R)-2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid | (R)-Cyclopentyl-[4-(quinolin-2-ylmethoxy)-phenyl]-acetic acid | BAY-X 1005 | ZEYYDOLCHFETHQ-JOCHJYFZSA-N | (+)-(2R)-CYCLOPENTYL(QUINOLIN-2-YLMETHOXY)ACETIC ACID | Veliflapon (USAN/INN) | 2

Storage

Room temperature

Shipped In

Normal

Spezifikationen

Synonyme

(2R)-2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid | (R)-Cyclopentyl-[4-(quinolin-2-ylmethoxy)-phenyl]-acetic acid | BAY-X 1005 | ZEYYDOLCHFETHQ-JOCHJYFZSA-N | (+)-(2R)-CYCLOPENTYL(QUINOLIN-2-YLMETHOXY)ACETIC ACID | Veliflapon (USAN/INN) | 2

Spezifikationen & Reinheit

Moligand™, ≥98%(HPLC)

Biochemische und physiologische Mechanismen

5-lipoxygenase activating protein (FLAP) inhibitor. Inhibits the synthesis of leukotrienes B4and C4in animal models; inhibits synthesis of leukotriene B4in A23187-stimulated leukocytes (IC50values are 0.026, 0.039 and 0.22μM for rat, mice and human leukoc

Storage

Room temperature

Verschickt in

Normal

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

5-lipoxygenase activating protein inhibitor

Reinheit

≥98%(HPLC)

Produkteigenschaften

ALogP

5.4

Namen und Kennungen

Kanonisches Lächeln

C1CCC(C1)C(C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O

IUPAC Name

(2R)-2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetic acid

InChIKey

ZEYYDOLCHFETHQ-JOCHJYFZSA-N

INCHI

1S/C23H23NO3/c25-23(26)22(17-6-1-2-7-17)18-10-13-20(14-11-18)27-15-19-12-9-16-5-3-4-8-21(16)24-19/h3-5,8-14,17,22H,1-2,6-7,15H2,(H,25,26)/t22-/m1/s1

Isomere SMILES

C1CCC(C1)[C@H](C2=CC=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)C(=O)O

Molekulargewicht

361.43

Reaxy-Rn

13469407

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13469407&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyridines and derivatives Heteroaromatic compounds Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Quinoline - Phenoxy compound - Phenol ether - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

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ALOX5 Tclin Arachidonate 5-lipoxygenase (1 Activities)

Discover Target: ALOX5

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

ALOX5 Tclin Arachidonate 5-lipoxygenase (6568 Activities)

Discover Target: ALOX5

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

Homo sapiens (32628 Activities)

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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)

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Mus musculus (284745 Activities)

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Rattus norvegicus (775804 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 36.14, Max Conc. mM: 100
• Molekulargewicht: 361.400 g/mol
• XLogP3: 5.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 361.168 Da
• Monoisotopic Mass: 361.168 Da
• Topological Polar Surface Area: 59.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 482.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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