YF-2 - ≥98% , CAS No.1311423-89-8

CAS: 1311423-89-8 Cat. No.: Y412127 분자식: C₂₀H₂₂ClF₃N₂O₃ 분자량: 430.85 PubChem CID: 53230697

등급 & 순도 ≥98%

Synonyms

BS-15116 | YF2 | YF-2 | UNII-N5WK32GRK4 | HY-16531 | SCHEMBL9951429 | EX-A3626 | N-(4-Chloro-3-(trifluoromethyl)phenyl)-2-(2-(dimethylamino)ethoxy)-6-ethoxybenzamide | N17041 | AKOS037648660 | YF 2;YF2 | N5WK32GRK4 | TZHLDFAKTWDTOW-UHFFFAOYSA-O | YF 2 | B

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

Information

YF-2 YF-2 is a highly selective, blood-brain-barrier permeable activator of histone acetyltransferase (HAT) . In In vitro assays, YF-2 has activity versus CBP, PCAF, and GCN5 with EC50 of 2.75 μΜ, 29.04 μΜ and 49.3 μΜ, respectively. YF-2 also increases p300 activity.

Targets

HAT ; p300 ; CBP (Cell-based assay); PCAF (Cell-based assay); GCN5 (Cell-based assay) ; 2.75 μM(EC50); 29.04 μM(EC50); 49.3 μM(EC50)

사양

동의어

BS-15116 | YF2 | YF-2 | UNII-N5WK32GRK4 | HY-16531 | SCHEMBL9951429 | EX-A3626 | N-(4-Chloro-3-(trifluoromethyl)phenyl)-2-(2-(dimethylamino)ethoxy)-6-ethoxybenzamide | N17041 | AKOS037648660 | YF 2;YF2 | N5WK32GRK4 | TZHLDFAKTWDTOW-UHFFFAOYSA-O | YF 2 | B

사양 및 순도

≥98%

생화학 및 생리적 메커니즘

YF-2 is a highly selective, blood-brain-barrier permeable activator of histone acetyltransferase (HAT). In In vitro assays, YF-2 has activity versus CBP, PCAF, and GCN5 with EC50 of 2.75 μΜ, 29.04 μΜ and 49.3 μΜ, respectively. YF-2 also increases p300 act

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

작업 유형

ACTIVATOR

순수함

≥98%

제품 특성

ALogP

4.676

HBD 수

1

회전 가능한 결합

9

이름과 식별자

Pubchem Sid

488201556

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488201556

정식 스마일

CCOC1=C(C(=CC=C1)OCCN(C)C)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

IUPAC Name

N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-(dimethylamino)ethoxy]-6-ethoxybenzamide

InChIKey

TZHLDFAKTWDTOW-UHFFFAOYSA-N

INCHI

1S/C20H22ClF3N2O3/c1-4-28-16-6-5-7-17(29-11-10-26(2)3)18(16)19(27)25-13-8-9-15(21)14(12-13)20(22,23)24/h5-9,12H,4,10-11H2,1-3H3,(H,25,27)

이성체 SMILES

CCOC1=C(C(=CC=C1)OCCN(C)C)C(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F

PubChem CID

53230697

분자량

430.85

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: Trifluoromethylbenzenes Benzamides Benzoyl derivatives Phenol ethers Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Aryl chlorides Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzanilide - Trifluoromethylbenzene - Benzamide - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Organic nitrogen compound - Amine - Alkyl halide - Alkyl fluoride - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - 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

화학 및 물리적 특성

• 용해성: Solubility (25°C) In vitro DMSO: 86 mg/mL (199.6 mM); Water: 86 mg/mL (199.6 mM); Ethanol: 86 mg/mL (199.6 mM)
• DMSO(mg/mL) 최대 용해도: 86
• DMSO(mM) 최대 용해도: 199.605431124521
• 물(mg/mL) 최대 용해도: 86
• 물(mM) 최대 용해도: 199.605431124521
• 분자량: 430.800 g/mol
• XLogP3: 4.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 430.127 Da
• Monoisotopic Mass: 430.127 Da
• Topological Polar Surface Area: 50.800 Ų
• Heavy Atom Count: 29
• Formal Charge: 0
• Complexity: 522.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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