RN 1747 - Moligand™, ≥98%(HPLC) , Activator of TRPV4, CAS No.1024448-59-6, Activator of TRPV4

CAS: 1024448-59-6 Cat. No.: R276121 Formula: C₁₇H₁₈ClN₃O₄S Molecular Weight: 395.86 EC Number: 664-275-4 PubChem CID: 5068295

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

BDBM50545035 | 1-benzyl-4-(4-chloro-2-nitrobenzenesulfonyl)piperazine | 1-benzyl-4-(4-chloro-2-nitrophenyl)sulfonylpiperazine | HMS3678D03 | HMS3414D03 | AKOS040742557 | HY-19976 | DTXSID80408000 | AC-36308 | RN1747 | RN-1747 | RN-1747, >=98% (HPLC) | ZB1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Shipped at Room Temperature. Store at +4°C.

Specifications

Synonyms

BDBM50545035 | 1-benzyl-4-(4-chloro-2-nitrobenzenesulfonyl)piperazine | 1-benzyl-4-(4-chloro-2-nitrophenyl)sulfonylpiperazine | HMS3678D03 | HMS3414D03 | AKOS040742557 | HY-19976 | DTXSID80408000 | AC-36308 | RN1747 | RN-1747 | RN-1747, >=98% (HPLC) | ZB1

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Selective TRPV4 agonist (EC 50 = 0.77 μM, human; 4.0\xa0μM, mouse; 4.4\xa0μM rat).\xa0Has selectivity for\xa0TRP8 (EC 50 >30\xa0μM), TRPV3 (EC 50 = >30\xa0μM) and TRPV1 (EC 50 = >100\xa0μ). TRP8 antagonist at certain concentrations (EC 50 =\xa04\xa0μM).

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

ACTIVATOR

Mechanism of action

Activator of TRPV4

Note

Refer to SDS for further information. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%(HPLC)

Names and Identifiers

Pubchem Sid

504763206

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763206

Canonical Smiles

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

IUPAC Name

1-benzyl-4-(4-chloro-2-nitrophenyl)sulfonylpiperazine

InChIKey

ZNLVYSJQUMALEO-UHFFFAOYSA-N

INCHI

1S/C17H18ClN3O4S/c18-15-6-7-17(16(12-15)21(22)23)26(24,25)20-10-8-19(9-11-20)13-14-4-2-1-3-5-14/h1-7,12H,8-11,13H2

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)S(=O)(=O)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

WGK Germany

1

PubChem CID

5068295

Molecular Weight

395.86

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzenesulfonamides
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzenesulfonamides
• Alternative Parents: Benzenesulfonyl compounds Nitrobenzenes Benzylamines Phenylmethylamines Nitroaromatic compounds Aralkylamines Chlorobenzenes N-alkylpiperazines Aryl chlorides Organosulfonamides Sulfonyls Trialkylamines Organic oxoazanium compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic salts Organochlorides Hydrocarbon derivatives Organic oxides Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzenesulfonamide - Benzenesulfonyl group - Nitrobenzene - Nitroaromatic compound - Benzylamine - Phenylmethylamine - Chlorobenzene - Halobenzene - Aralkylamine - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - C-nitro compound - Tertiary aliphatic amine - Tertiary amine - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organoheterocyclic compound - Azacycle - Organic oxoazanium - Organohalogen compound - Organic salt - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Organochloride - Organonitrogen compound - Organosulfur compound - Organic nitrogen compound - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
• 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)

TRPV4 Tchem Transient receptor potential cation channel subfamily V member 4 (3 Activities)

Discover Target: TRPV4

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

TRPV4 Tchem Transient receptor potential cation channel subfamily V member 4 (774 Activities)

Discover Target: TRPV4

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Insoluble in Ethanol,Water；79 mg/mL(199.57 mM) in DMSO
• Molecular Weight: 395.900 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 395.071 Da
• Monoisotopic Mass: 395.071 Da
• Topological Polar Surface Area: 94.800 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 578.000
• 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