TACA , CAS No.38090-53-8

CAS: 38090-53-8 Cat. No.: T287350 分子式: C₄H₇NO₂ 分子量: 101.1 PubChem CID: 5310987

Synonyms

BDBM50087271 | PDSP2_000610 | NCGC00024485-08 | SCHEMBL489325 | SPECTRUM1502123 | SR-01000075646-1 | NCGC00024485-02 | 2-Butenoic acid, 4-amino-, (2E)- | 4 Aminocrotonic Acid | 2-Butenoic acid, 4-amino- | Example 1 [WO2013087578] | (2E)-4-AMINOBUT-2-ENOIC

Storage

Room temperature

Shipped In

Normal

Specifications

同義語

BDBM50087271 | PDSP2_000610 | NCGC00024485-08 | SCHEMBL489325 | SPECTRUM1502123 | SR-01000075646-1 | NCGC00024485-02 | 2-Butenoic acid, 4-amino-, (2E)- | 4 Aminocrotonic Acid | 2-Butenoic acid, 4-amino- | Example 1 [WO2013087578] | (2E)-4-AMINOBUT-2-ENOIC

生化学的・生理学的メカニズム

The trans-isomer of CACA. Potent GABAAagonist, GABA uptake inhibitor and substrate for GABA-T. Also GABAA-ρagonist.

保管条件

Room temperature

入荷

Normal

アクションタイプ

AGONIST

名前と識別子

カノニカル・スマイル

C(C=CC(=O)O)N

IUPAC Name

(E)-4-aminobut-2-enoic acid

InChIKey

FMKJUUQOYOHLTF-OWOJBTEDSA-N

INCHI

1S/C4H7NO2/c5-3-1-2-4(6)7/h1-2H,3,5H2,(H,6,7)/b2-1+

異性体SMILES

C(/C=C/C(=O)O)N

PubChem CID

5310987

分子量

101.1

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • 分類 Fatty Acyls
      • Subclass Fatty acids and conjugates

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• 分類: Fatty Acyls
• Subclass: Fatty acids and conjugates
• Intermediate Tree Nodes: Not available
• Direct Parent: Amino fatty acids
• Alternative Parents: Unsaturated fatty acids Straight chain fatty acids Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Amino fatty acid - Straight chain fatty acid - Unsaturated fatty acid - Amino acid or derivatives - Amino acid - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Amine - Carbonyl group - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Aliphatic acyclic compound
• 説明: This compound belongs to the class of organic compounds known as amino fatty acids. These are fatty acids containing an amine 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

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GABRR2 Tchem GABA receptor rho-2 subunit (11 Activities)

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GABRR1 Tchem GABA receptor rho-1 subunit (233 Activities)

Discover Target: GABRR1

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HEK293 (82097 Activities)

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EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

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SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

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関連ターゲット（非人間）

pfk 6-phospho-1-fructokinase (7870 Activities)

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Txnrd1 Thioredoxin reductase 1, cytoplasmic (45279 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: Solvent:water, Max Conc. mg/mL: None, Max Conc. mM: 100
• 分子量: 101.100 g/mol
• XLogP3: -3.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 101.048 Da
• Monoisotopic Mass: 101.048 Da
• Topological Polar Surface Area: 63.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 87.700
• 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

よくある質問

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 38090-53-8, the molecular formula is C?H?NO?, and the molecular weight is 101.1 g/mol. InChIKey FMKJUUQOYOHLTF-OWOJBTEDSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.