B355252 , CAS No.1261576-81-1

CAS: 1261576-81-1 Cat. No.: B412936 Molecular Weight: 514.06 EC Number: 808-357-1

Synonyms

US9617239, BRITE-355252 | SCHEMBL2354296 | 4-Chloro-N-(naphthalen-1-ylmethyl)-5-(3-(piperazin-1-yl)phenoxy)thiophene-2-sulfonamide | B 355252 | AS-16396 | AKOS037643431 | EX-A4822 | HY-120553 | 4-chloro-N-[(naphthalen-1-yl)methyl]-5-[3-(piperazin-1-yl)phe

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

B355252 is a neuroprotective agent potentiating nerve growth factor (NGF)-induced neurite outgrowth. B355252 protects against cell death caused by glutamate-evoked oxidative stress.

Specifications

Synonyms

US9617239, BRITE-355252 | SCHEMBL2354296 | 4-Chloro-N-(naphthalen-1-ylmethyl)-5-(3-(piperazin-1-yl)phenoxy)thiophene-2-sulfonamide | B 355252 | AS-16396 | AKOS037643431 | EX-A4822 | HY-120553 | 4-chloro-N-[(naphthalen-1-yl)methyl]-5-[3-(piperazin-1-yl)phe

Biochemical and Physiological Mechanisms

B355252 is a neuroprotective agent potentiating nerve growth factor (NGF)-induced neurite outgrowth. B355252 protects against cell death caused by glutamate-evoked oxidative stress.

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.

Action Type

INHIBITOR

Names and Identifiers

• Canonical Smiles: C1CN(CCN1)C2=CC(=CC=C2)OC3=C(C=C(S3)S(=O)(=O)NCC4=CC=CC5=CC=CC=C54)Cl
• IUPAC Name: 4-chloro-N-(naphthalen-1-ylmethyl)-5-(3-piperazin-1-ylphenoxy)thiophene-2-sulfonamide
• InChIKey: YAAVQYDOVJQDFZ-UHFFFAOYSA-N
• INCHI: 1S/C25H24ClN3O3S2/c26-23-16-24(34(30,31)28-17-19-7-3-6-18-5-1-2-10-22(18)19)33-25(23)32-21-9-4-8-20(15-21)29-13-11-27-12-14-29/h1-10,15-16,27-28H,11-14,17H2
• Isomeric SMILES: C1CN(CCN1)C2=CC(=CC=C2)OC3=C(C=C(S3)S(=O)(=O)NCC4=CC=CC5=CC=CC=C54)Cl
• Molecular Weight: 514.06
• Reaxy-Rn: 20965006
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20965006&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperazines
• Alternative Parents: N-arylpiperazines Diarylethers Naphthalenes Phenoxy compounds Phenol ethers 2,3,5-trisubstituted thiophenes Aniline and substituted anilines Dialkylarylamines Organosulfonamides Aryl chlorides Aminosulfonyl compounds Heteroaromatic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organochlorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-arylpiperazine - Phenylpiperazine - Diaryl ether - Naphthalene - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Dialkylarylamine - 2,3,5-trisubstituted thiophene - Tertiary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Organosulfonic acid amide - Heteroaromatic compound - Aminosulfonyl compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Thiophene - Sulfonyl - Tertiary amine - Azacycle - Ether - Secondary amine - Secondary aliphatic amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as phenylpiperazines. These are compounds containing a phenylpiperazine skeleton, which consists of a piperazine bound to a phenyl group.
• 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)

GUSB Tchem Beta-glucuronidase (1 Activities)

Discover Target: GUSB

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

Associated Targets(non-human)

Gusb Beta-glucuronidase (17 Activities)

Discover Target: Gusb

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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 514.100 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 7
• Exact Mass: 513.095 Da
• Monoisotopic Mass: 513.095 Da
• Topological Polar Surface Area: 107.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 761.000
• 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