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

CAS: 1024448-59-6 Cat. No.: R276121 Formule: C₁₇H₁₈ClN₃O₄S Poids moléculaire: 395.86 Numéro CE: 664-275-4 PubChem CID: 5068295

QUALITÉ & PURETÉ 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

Vue d’ensemble

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

Spécifications

Synonymes

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

Spécifications et pureté

Moligand™, ≥98%(HPLC)

Mécanismes biochimiques et physiologiques

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).

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

ACTIVATOR

Mécanisme d'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.

Pureté

≥98%(HPLC)

Noms et identifiants

Pubchem Sid

504763206

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

1

PubChem CID

5068295

Poids moléculaire

395.86

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: 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

Cibles associées (humaines)

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

Cibles associées (non humaines)

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in Ethanol,Water；79 mg/mL(199.57 mM) in DMSO
• Poids moléculaire: 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