Nafadotride - Moligand™, ≥99% , Agonist of 5-HT 1A receptor;Antagonist of D 2 receptor;Antagonist of D 3 receptor;Antagonist of D 4 receptor, CAS No.149649-22-9, Agonist of 5-HT 1A receptor;Antagonist of D 2 receptor;Antagonist of D 3 receptor;Antagonist of D 4 receptor

CAS: 149649-22-9 Cat. No.: N276044 Summenformel: C₂₂H₂₇N₃O₂ Molekulargewicht: 365.47

QUALITÄT & REINHEIT Moligand™, ≥99%

Synonyms

MLS000758952 | SR-01000597572-1 | AKOS024257976 | DTXSID1042603 | N-((1-butylpyrrolidin-2-yl)methyl)-4-cyano-1-methoxy-2-naphthamide | NC00369 | CCG-101119 | SR-01000597572 | HMS3678K11 | n-((1-butyl-2-pyrrolidinyl)methyl)-4-cyano-1-methoxy-2-naphthalenec

Storage

Room temperature,Desiccated

Shipped In

Normal

Übersicht

Store at Room Temperature. Store under desiccating conditions. The product can be stored for up to 12 months.

Spezifikationen

Synonyme

MLS000758952 | SR-01000597572-1 | AKOS024257976 | DTXSID1042603 | N-((1-butylpyrrolidin-2-yl)methyl)-4-cyano-1-methoxy-2-naphthamide | NC00369 | CCG-101119 | SR-01000597572 | HMS3678K11 | n-((1-butyl-2-pyrrolidinyl)methyl)-4-cyano-1-methoxy-2-naphthalenec

Spezifikationen & Reinheit

Moligand™, ≥99%

Biochemische und physiologische Mechanismen

Potent, selective D 3 antagonist (K i values are 0.52 nM (D 3 ), 269 nM (D 4 ) and 5 nM (D 2 )).

Storage

Room temperature,Desiccated

Verschickt in

Normal

Note

Moligand™

Aktionsart

AGONIST, ANTAGONIST

Mechanismus der Wirkung

Agonist of 5-HT 1A receptor;Antagonist of D 2 receptor;Antagonist of D 3 receptor;Antagonist of D 4 receptor

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

≥99%

Namen und Kennungen

Kanonisches Lächeln

CCCCN1CCCC1CNC(=O)C2=C(C3=CC=CC=C3C(=C2)C#N)OC

IUPAC Name

N-[(1-butylpyrrolidin-2-yl)methyl]-4-cyano-1-methoxynaphthalene-2-carboxamide

InChIKey

IDZASIQMRGPBCQ-UHFFFAOYSA-N

INCHI

1S/C22H27N3O2/c1-3-4-11-25-12-7-8-17(25)15-24-22(26)20-13-16(14-23)18-9-5-6-10-19(18)21(20)27-2/h5-6,9-10,13,17H,3-4,7-8,11-12,15H2,1-2H3,(H,24,26)

Isomere SMILES

CCCCN1CCCC1CNC(=O)C2=C(C3=CC=CC=C3C(=C2)C#N)OC

Molekulargewicht

365.47

Reaxy-Rn

8356954

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8356954&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes
      • Subclass Naphthalenecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Naphthalenecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenecarboxamides
• Alternative Parents: Anisoles Alkyl aryl ethers N-alkylpyrrolidines Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 2-naphthalenecarboxamide - Anisole - Alkyl aryl ether - N-alkylpyrrolidine - Pyrrolidine - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Ether - Carbonitrile - Nitrile - Azacycle - Organoheterocyclic compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as naphthalenecarboxamides. These are compounds containing a naphthalene moiety, which bears a carboxylic acid amide group at one or more positions. Naphthalene is a bicyclic compound that is made up of two fused benzene rings.
• External Descriptors: tertiary amino compound - aromatic ether - pyrrolidines - nitrile - naphthalenecarboxamide

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

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DRD2 Tclin D(2) dopamine receptor (2 Activities)

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DRD4 Tchem D(4) dopamine receptor (1 Activities)

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DRD3 Tclin D(3) dopamine receptor (3 Activities)

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HTR1A Tclin 5-hydroxytryptamine receptor 1A (1 Activities)

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DRD2 Tclin Dopamine D2 receptor (23596 Activities)

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DRD3 Tclin Dopamine D3 receptor (14368 Activities)

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KDM4E Tchem Lysine-specific demethylase 4D-like (40243 Activities)

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MBNL1 Tbio Muscleblind-like protein 1 (34431 Activities)

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Mapk1 MAP kinase ERK2 (650 Activities)

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Hdac6 Histone deacetylase 6 (222 Activities)

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Pseudomonas aeruginosa (123386 Activities)

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Klebsiella pneumoniae (43867 Activities)

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Staphylococcus aureus (210822 Activities)

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Acinetobacter baumannii (41033 Activities)

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Escherichia coli (133304 Activities)

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Cryptococcus neoformans (21258 Activities)

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Candida albicans (78123 Activities)

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in 1eq. HCl to 50 mM
• Molekulargewicht: 365.500 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 365.21 Da
• Monoisotopic Mass: 365.21 Da
• Topological Polar Surface Area: 65.400 Ų
• Heavy Atom Count: 27
• Formal Charge: 0
• Complexity: 543.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1