TFB-TBOA - ≥98%(HPLC) , CAS No.480439-73-4

CAS: 480439-73-4 Cat. No.: T286703 분자식: C₁₉H₁₇F₃N₂O₆ 분자량: 426.35 PubChem CID: 52941382

GRADE & PURITY ≥98%(HPLC)

Synonyms

(3S)-3-[[3-[[4-(트리플루오로메틸)벤조일]아미노]페닐]메톡시]-L- 아스파르트산

Storage

20°C에서 보관

Shipped In

아이스 박스 + 아이스 패드

Specifications

동의어

(3S)-3-[[3-[[4-(트리플루오로메틸)벤조일]아미노]페닐]메톡시]-L- 아스파르트산

사양 및 순도

≥98%(HPLC)

생화학 및 생리적 메커니즘

강력하고 선택적인 신경교 글루타메이트 수송체 EAAT1 및 EAAT2 억제제(IC50값은 각각 17, 22 및 300 nM입니다. EAAT2, EAAT1 및 EAAT3의 경우). EAAT4 및 EAAT5 또는 광범위한 신경세포 수용체 및 수송체에는 영향을 미치지 않습니다. 글루코사민을 감쇠시킵니다

보관 조건

20°C에서 보관

배송

아이스 박스 + 아이스 패드

순수함

≥98%(HPLC)

이름과 식별자

• 정식 스마일: C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(F)(F)F)COC(C(C(=O)O)N)C(=O)O
• IUPAC Name: (2S,3S)-2-amino-3-[[3-[[4-(trifluoromethyl)benzoyl]amino]phenyl]methoxy]butanedioic acid
• InChIKey: LPWONNPEPDHEAI-GJZGRUSLSA-N
• INCHI: 1S/C19H17F3N2O6/c20-19(21,22)12-6-4-11(5-7-12)16(25)24-13-3-1-2-10(8-13)9-30-15(18(28)29)14(23)17(26)27/h1-8,14-15H,9,23H2,(H,24,25)(H,26,27)(H,28,29)/t14-,15-/m0/s1
• 이성체 SMILES: C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)C(F)(F)F)CO[C@@H]([C@@H](C(=O)O)N)C(=O)O
• PubChem CID: 52941382
• 분자량: 426.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Aromatic anilides
          • Level6 Benzanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Aromatic anilides
• Direct Parent: Benzanilides
• Alternative Parents: Aspartic acid and derivatives Trifluoromethylbenzenes L-alpha-amino acids Benzamides Benzylethers Benzoyl derivatives Monosaccharides Dicarboxylic acids and derivatives Amino acids Secondary carboxylic acid amides Dialkyl ethers Carboxylic acids Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides Hydrocarbon derivatives Monoalkylamines
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Aspartic acid or derivatives - Alpha-amino acid - Alpha-amino acid or derivatives - Trifluoromethylbenzene - L-alpha-amino acid - Benzamide - Benzoic acid or derivatives - Benzylether - Benzoyl - Dicarboxylic acid or derivatives - Monosaccharide - Amino acid or derivatives - Amino acid - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Ether - Carboxylic acid - Dialkyl ether - Organonitrogen compound - Primary amine - Primary aliphatic amine - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Organic oxide - Alkyl fluoride - Amine - Organooxygen compound - Organohalogen compound - Organofluoride - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzanilides. These are aromatic compounds containing an anilide group in which the carboxamide group is substituted with a benzene ring. They have the general structure RNC(=O)R', where R,R'= benzene.
• 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

관련 대상(인간)

SLC1A1 Tchem Excitatory amino acid transporter 3 (4 Activities)

Discover Target: SLC1A1

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

SLC1A3 Tchem Excitatory amino acid transporter 1 (3 Activities)

Discover Target: SLC1A3

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

SLC1A2 Tchem Excitatory amino acid transporter 2 (4 Activities)

Discover Target: SLC1A2

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

SLC1A1 Tchem Excitatory amino acid transporter 3 (527 Activities)

Discover Target: SLC1A1

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

SLC1A3 Tchem Excitatory amino acid transporter 1 (586 Activities)

Discover Target: SLC1A3

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

관련 대상(비인간)

Slc1a2 Excitatory amino acid transporter 2 (39 Activities)

Discover Target: Slc1a2

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

Slc1a6 Excitatory amino acid transporter 4 (71 Activities)

Discover Target: Slc1a6

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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Solvent:DMSO, Max Conc. mg/mL: 21.32, Max Conc. mM: 50
• 분자량: 426.300 g/mol
• XLogP3: -0.700
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 8
• Exact Mass: 426.104 Da
• Monoisotopic Mass: 426.104 Da
• Topological Polar Surface Area: 139.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 622.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

자주 묻는 질문

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 480439-73-4, the molecular formula is C??H??F?N?O?, and the molecular weight is 426.35 g/mol. InChIKey LPWONNPEPDHEAI-GJZGRUSLSA-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.