S-[4-[(4-Nitrobenzyl)oxy]phenethyl]isothiourea Methanesulfonate - Moligand™, ≥98%(HPLC) , Channel blocker of TRPC3;Channel blocker of TRPC5;Channel blocker of TRPC6, CAS No.182004-65-5, Channel blocker of TRPC3;Channel blocker of TRPC5;Channel blocker of TRPC6

CAS: 182004-65-5 Cat. No.: S161158 Peso molecular: 427.49 Número EC: 689-434-5 PubChem CID: 9823846

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

GTPL4232 | HY-15415 | s4643 | 2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE | 2-(2-(4-(4-nitrobenzyloxy)phenyl)ethyl)isothiourea mesylate | C17H21N3O6S2 | methanesulfonic acid;2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate | A1

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

KB-R7943 mesylate is a widely used inhibitor of the reverse Na+/Ca2+ exchanger (NCXrev) with IC50 of 5.7±2.1 μM. KB-R7943 mesylate induces cancer cell death via activating the JNK pathway and blocking autophagic flux.

Specifications

Sinónimos

GTPL4232 | HY-15415 | s4643 | 2-[2-[4-(4-NITROBENZYLOXY)PHENYL]ETHYL]ISOTHIOUREA MESYLATE | 2-(2-(4-(4-nitrobenzyloxy)phenyl)ethyl)isothiourea mesylate | C17H21N3O6S2 | methanesulfonic acid;2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate | A1

Especificaciones y pureza

Moligand™, ≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Potent, selective inhibitor of the reverse mode of the Na+/Ca2+ exchanger (IC50 = ~0.32 μM in guinea pig ventricular cells). Also potent blocker of TRPC channels (IC50 values are 0.46, 0.71 and 1.38 μM at TRPC3, TRPC6 and TRPC5, respectively).Potent, sele

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

CHANNEL BLOCKER

Mecanismo de acción

Channel blocker of TRPC3;Channel blocker of TRPC5;Channel blocker of TRPC6

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%(HPLC)

Nombres e identificadores

• Pubchem Sid: 504764916
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764916
• Sonrisas canónicas: CS(=O)(=O)O.C1=CC(=CC=C1CCSC(=N)N)OCC2=CC=C(C=C2)[N+](=O)[O-]
• IUPAC Name: methanesulfonic acid;2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate
• InChIKey: WGIKEBHIKKWJLG-UHFFFAOYSA-N
• INCHI: 1S/C16H17N3O3S.CH4O3S/c17-16(18)23-10-9-12-3-7-15(8-4-12)22-11-13-1-5-14(6-2-13)19(20)21;1-5(2,3)4/h1-8H,9-11H2,(H3,17,18);1H3,(H,2,3,4)
• Isómeros SMILES: CS(=O)(=O)O.C1=CC(=CC=C1CCSC(=N)N)OCC2=CC=C(C=C2)[N+](=O)[O-]
• PubChem CID: 9823846
• Peso molecular: 427.49
• Reaxy-Rn: 9099076

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Nitrobenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Nitrobenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Nitrobenzenes
• Alternative Parents: Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Sulfonyls Organosulfonic acids Alkanesulfonic acids Methanesulfonates Isothioureas Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Carboximidamides Organic salts Imines Hydrocarbon derivatives Organic oxides Organic cations
• Molecular Framework: Not available
• Substituents: Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - Alkyl aryl ether - Methanesulfonate - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Organosulfonic acid - Alkanesulfonic acid - Sulfonyl - Isothiourea - C-nitro compound - Organic nitro compound - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Carboximidamide - Organooxygen compound - Organonitrogen compound - Organic salt - Organosulfur compound - Organic nitrogen compound - Imine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic cation - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as nitrobenzenes. These are compounds containing a nitrobenzene moiety, which consists of a benzene ring with a carbon bearing a nitro 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

Objetivos asociados (humanos)

TRPC3 Tchem Short transient receptor potential channel 3 (0 Activities)

Discover Target: TRPC3

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

TRPC5 Tchem Short transient receptor potential channel 5 (1 Activities)

Discover Target: TRPC5

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

TRPC6 Tchem Short transient receptor potential channel 6 (0 Activities)

Discover Target: TRPC6

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

Propiedades químicas y físicas

• Sensibilidad: heat sensitive
• Peso molecular: 427.500 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 7
• Exact Mass: 427.087 Da
• Monoisotopic Mass: 427.087 Da
• Topological Polar Surface Area: 193.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 479.000
• 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: 2

XLogP3