SB-366791 - Moligand™, ≥98% , Channel blocker of TRPV1, CAS No.472981-92-3, Channel blocker of TRPV1

CAS: 472981-92-3 Cat. No.: S275140 Summenformel: C₁₆H₁₄ClNO₂ Molekulargewicht: 287.74 PubChem CID: 667594

GRADE & PURITY Moligand™, ≥98%

Synonyms

SR-01000597592-1 | 4'-CHLORO-3-METHOXYCINNAMANILIDE | 4-CHLORO-3-METHOXYCINNAMANILIDE | UNII-E8EY4M2N4H | SR-01000597592 | EX-A1109 | NCGC00025231-02 | SB-366,791 | GTPL4309 | HMS3886F08 | ES-0017 | MFCD01033818 | BDBM20488 | N-(3-methoxyphenyl)-4-chloroc

Storage

Room temperature

Shipped In

Normal

Übersicht

Product Description：

SB-366791 is a novel, potent, and selective, cinnamide TRPV1 antagonist with an IC50 of 5.7 nM.

Product Application：

SB-366791 has been used as a transient receptor potential cation channel subfamily V member 1 (TRPV1) antagonist: to infer the in vitro and in vivo pharmacology of (E)-3-(4-t-butylphenyl)-N-(2,3-dihydrobenzo[b][1,4]dioxin-6-yl)acrylamide (AMG 9810) to study its effects on sodium hydrogen sulfide (NaHS) or capsaicin-induced contractile activity 

to study the inhibitory potency of phoneutria toxin (PnTx3-5) (native and recombinant) on various responses mediated by transient receptor potential cation channel subfamily V member 1 (TRPV1) 

Specifications

Synonyme

SR-01000597592-1 | 4'-CHLORO-3-METHOXYCINNAMANILIDE | 4-CHLORO-3-METHOXYCINNAMANILIDE | UNII-E8EY4M2N4H | SR-01000597592 | EX-A1109 | NCGC00025231-02 | SB-366,791 | GTPL4309 | HMS3886F08 | ES-0017 | MFCD01033818 | BDBM20488 | N-(3-methoxyphenyl)-4-chloroc

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

Potent, selective TRPV1 antagonist. Rapidly and reversibley inhibits capsaicin, acid, or heat mediated activation of human TRPV1 (IC 50 values are 3 and 6 nM for capsaisin and heat respectively). Active in vivo .

Quelle

Synthetic

Storage

Room temperature

Verschickt in

Normal

Note

Moligand™

Aktionsart

CHANNEL BLOCKER

Mechanismus der Wirkung

Channel blocker of TRPV1

Hinweis

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.

Reinheit

≥98%

Namen und Kennungen

• Pubchem Sid: 504759808
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759808
• Kanonisches Lächeln: COC1=CC=CC(=C1)NC(=O)C=CC2=CC=C(C=C2)Cl
• IUPAC Name: (E)-3-(4-chlorophenyl)-N-(3-methoxyphenyl)prop-2-enamide
• InChIKey: RYAMDQKWNKKFHD-JXMROGBWSA-N
• INCHI: 1S/C16H14ClNO2/c1-20-15-4-2-3-14(11-15)18-16(19)10-7-12-5-8-13(17)9-6-12/h2-11H,1H3,(H,18,19)/b10-7+
• Isomere SMILES: COC1=CC=CC(=C1)NC(=O)/C=C/C2=CC=C(C=C2)Cl
• PubChem CID: 667594
• Molekulargewicht: 287.74

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Klasse Cinnamic acids and derivatives
      • Subclass Cinnamic acid amides

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Klasse: Cinnamic acids and derivatives
• Subclass: Cinnamic acid amides
• Intermediate Tree Nodes: Not available
• Direct Parent: Cinnamic acid amides
• Alternative Parents: Anilides Methoxyanilines Styrenes Phenoxy compounds Anisoles N-arylamides Methoxybenzenes Alkyl aryl ethers Chlorobenzenes Aryl chlorides Secondary carboxylic acid amides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organopnictogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Cinnamic acid amide - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Methoxybenzene - N-arylamide - Styrene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxamide group - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organochloride - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as cinnamic acid amides. These are amides of cinnamic acids. Cinnamic acid is an aromatic compound containing a benzene and a carboxylic acid group forming 3-phenylprop-2-enoic acid.
• 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

Zugehörige Ziele (menschlich)

TRPV1 Tclin Transient receptor potential cation channel subfamily V member 1 (3 Activities)

Discover Target: TRPV1

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

TRPV1 Tclin Vanilloid receptor (8273 Activities)

Discover Target: TRPV1

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

Zugehörige Ziele (nicht menschlich)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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

Plasmodium falciparum (966862 Activities)

Explore this target

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

Trpa1 Transient receptor potential cation channel subfamily A member 1 (1003 Activities)

Discover Target: Trpa1

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

Trpm8 Transient receptor potential cation channel subfamily M member 8 (889 Activities)

Discover Target: Trpm8

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

SARS-CoV-2 (38078 Activities)

Explore this target

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in DMSO to 75 mM and in ethanol to 25 mM (with warming)
• Empfindlichkeit: light sensitive
• Schmelzpunkt (°C): 169℃
• Molekulargewicht: 287.740 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 287.071 Da
• Monoisotopic Mass: 287.071 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 337.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1