HTMT dimaleate - ≥98% , CAS No.195867-54-0

CAS: 195867-54-0 Cat. No.: H274906 Formule: C₁₉H₂₅F₃N₄O.2C₄H₄O₄ Poids moléculaire: 614.57 PubChem CID: 45073433

GRADE & PURITY ≥98%

Synonyms

6-[[2-(1H-Imidazol-5-yl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]heptanamidedimaleate

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Specifications

Synonymes

6-[[2-(1H-Imidazol-5-yl)ethyl]amino]-N-[4-(trifluoromethyl)phenyl]heptanamidedimaleate

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

H 1 /H 2 receptor agonist (K i = 1.2 µM). More potent than histamine . Activates IP 3 /Ca 2+ signaling and induces proliferation of small cholangiocytes. Active in vivo .

Conditions de stockage de stockage

Store at -20°C,Desiccated

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.

Type d'action

AGONIST

Note

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.

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 528764832
• Sourires canoniques: CC(CCCCC(=O)NC1=CC=C(C=C1)C(F)(F)F)NCCC2=CN=CN2.C(=CC(=O)O)C(=O)O.C(=CC(=O)O)C(=O)O
• IUPAC Name: (Z)-but-2-enedioic acid;6-[2-(1H-imidazol-5-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]heptanamide
• InChIKey: ODAOZWTYNWZSBY-SPIKMXEPSA-N
• INCHI: 1S/C19H25F3N4O.2C4H4O4/c1-14(24-11-10-17-12-23-13-25-17)4-2-3-5-18(27)26-16-8-6-15(7-9-16)19(20,21)22;2*5-3(6)1-2-4(7)8/h6-9,12-14,24H,2-5,10-11H2,1H3,(H,23,25)(H,26,27);2*1-2H,(H,5,6)(H,7,8)/b;2*2-1-
• Isomères SMILES: CC(NCCC1=CN=CN1)CCCCC(=O)NC2=CC=C(C=C2)C(F)(F)F.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O
• CAS alternatif: 103827-16-3
• PubChem CID: 45073433
• Poids moléculaire: 614.57

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Trifluoromethylbenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Trifluoromethylbenzenes
• Alternative Parents: Anilides N-arylamides Aralkylamines Unsaturated fatty acids Dicarboxylic acids and derivatives Fatty amides Heteroaromatic compounds Imidazoles Amino acids and derivatives Secondary carboxylic acid amides Dialkylamines Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Alkyl fluorides Carbonyl compounds Organofluorides Organic oxides
• Molecular Framework: Not available
• Substituents: Trifluoromethylbenzene - Anilide - N-arylamide - Aralkylamine - Dicarboxylic acid or derivatives - Fatty amide - Fatty acyl - Fatty acid - Unsaturated fatty acid - Azole - Heteroaromatic compound - Imidazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Secondary aliphatic amine - Azacycle - Organoheterocyclic compound - Secondary amine - Organic nitrogen compound - Hydrocarbon derivative - Amine - Alkyl halide - Alkyl fluoride - Organic oxide - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as trifluoromethylbenzenes. These are organofluorine compounds that contain a benzene ring substituted with one or more trifluoromethyl groups.
• 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 (non humaines)

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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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in water to 100 mM and in DMSO to 100 mM
• Poids moléculaire: 614.600 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 14
• Exact Mass: 614.22 Da
• Monoisotopic Mass: 614.22 Da
• Topological Polar Surface Area: 219.000 Ų
• Heavy Atom Count: 43
• Formal Charge: 0
• Complexity: 558.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 2
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 2
• Covalently-Bonded Unit Count: 3

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