SC 22716 - Moligand™, ≥98% , Inhibitor of Leukotriene A 4 hydrolase, CAS No.262451-89-8, Inhibitor of Leukotriene A 4 hydrolase

CAS: 262451-89-8 Cat. No.: S356867 Molecular Weight: 267.37 PubChem CID: 10333202

GRADE & PURITY Moligand™, ≥98%

Synonyms

J-016349 | SCHEMBL1899201 | 1-[2-(Biphenyl-4-yloxy)-ethyl]-pyrrolidine(A-78773) | DTXSID50438298 | AKOS025295019 | GTPL9102 | NCGC00165874-01 | Q27088743 | SC 22716 | SC 22716, >=98% (HPLC) | BDBM50085251 | 1-[2-(4-Phenylphenoxy)ethyl]pyrrolidine | Pyrrol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Cell-permeable leukotriene A4 (LTA4) hydrolase inhibitor which suppresses the production of LTB4. It is implicated in the pathogenesis of many diseases including inflammatory bowel disease and psoriasis.

Specifications

Synonyms

J-016349 | SCHEMBL1899201 | 1-[2-(Biphenyl-4-yloxy)-ethyl]-pyrrolidine(A-78773) | DTXSID50438298 | AKOS025295019 | GTPL9102 | NCGC00165874-01 | Q27088743 | SC 22716 | SC 22716, >=98% (HPLC) | BDBM50085251 | 1-[2-(4-Phenylphenoxy)ethyl]pyrrolidine | Pyrrol

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

INHIBITOR

Mechanism of action

Inhibitor of Leukotriene A 4 hydrolase

Purity

≥98%

Names and Identifiers

• Canonical Smiles: C1CCN(C1)CCOC2=CC=C(C=C2)C3=CC=CC=C3
• IUPAC Name: 1-[2-(4-phenylphenoxy)ethyl]pyrrolidine
• InChIKey: PKUGRVAJRGZDJP-UHFFFAOYSA-N
• INCHI: 1S/C18H21NO/c1-2-6-16(7-3-1)17-8-10-18(11-9-17)20-15-14-19-12-4-5-13-19/h1-3,6-11H,4-5,12-15H2
• Isomeric SMILES: C1CCN(C1)CCOC2=CC=C(C=C2)C3=CC=CC=C3
• WGK Germany: 3
• PubChem CID: 10333202
• Molecular Weight: 267.37

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Phenoxy compounds Phenol ethers Alkyl aryl ethers N-alkylpyrrolidines Trialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Biphenyl - Phenoxy compound - Phenol ether - Alkyl aryl ether - N-alkylpyrrolidine - Pyrrolidine - Tertiary amine - Tertiary aliphatic amine - Ether - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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)

LTA4H Tchem Leukotriene A-4 hydrolase (5 Activities)

Discover Target: LTA4H

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

LTA4H Tchem Leukotriene A4 hydrolase (1442 Activities)

Discover Target: LTA4H

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

Associated Targets(non-human)

Mus musculus (284745 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in DMSO: 22 mg/mL
• Molecular Weight: 267.400 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 267.162 Da
• Monoisotopic Mass: 267.162 Da
• Topological Polar Surface Area: 12.500 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 261.000
• 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