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

CAS: 195867-54-0 Cat. No.: H274906 分子式: C₁₉H₂₅F₃N₄O.2C₄H₄O₄ 分子量: 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

概要

Specifications

同義語

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

仕様と純度

≥98%

生化学的・生理学的メカニズム

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 .

保管条件

Store at -20°C,Desiccated

入荷

Ice chest + Ice pads

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

アクションタイプ

AGONIST

注

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.

純度

≥98%

名前と識別子

• パブケム・シド: 528764832
• カノニカル・スマイル: 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-
• 異性体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
• 代替CAS番号: 103827-16-3
• PubChem CID: 45073433
• 分子量: 614.57

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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
• 説明: 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

関連ターゲット（非人間）

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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作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in water to 100 mM and in DMSO to 100 mM
• 分子量: 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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