BMS 299897 - ≥98%(HPLC) , CAS No.290315-45-6

CAS: 290315-45-6 Cat. No.: B287022 Peso molecular: 511.94 Número EC: 694-474-1

GRADE & PURITY ≥98%(HPLC)

Synonyms

NCGC00168109-03 | EX-A7260 | MS-29503 | QK855F579S | AMY24210 | CHEBI:94983 | NSC762672 | BDBM50477339 | BMS299897 | BMS-299897 | Q27166744 | gamma-Secretase Inhibitor XXIV | J-017364 | SCHEMBL6394108 | 2-[(1R)-1-[[(4-Chlorophenyl)sulfonyl](2,5-difluoroph

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

BMS 299897 is a sulfonamide γ-secretase inhibitor. It has an IC50 of 7 nM for Aβ production inhibition in HEK293 cells stably overexpressing amyloid precursor protein (APP). 

Application：

BMS-299897 has been used as an γ-secretase inhibitor to stop high glucose (HG) mediated amyloid β-peptide (Aβ) secretion.

Specifications

Sinónimos

NCGC00168109-03 | EX-A7260 | MS-29503 | QK855F579S | AMY24210 | CHEBI:94983 | NSC762672 | BDBM50477339 | BMS299897 | BMS-299897 | Q27166744 | gamma-Secretase Inhibitor XXIV | J-017364 | SCHEMBL6394108 | 2-[(1R)-1-[[(4-Chlorophenyl)sulfonyl](2, 5-difluoroph

Especificaciones y pureza

≥98%(HPLC)

Mecanismos bioquímicos y fisiológicos

Orally active, potentγ-secretase inhibitor (IC50= 12 nM). Inhibits Aβ40 and Aβ42 formationin vitro(IC50values are 7.4 and 7.9 nM respectively) and reduces Aβin the brain, plasma and cerebrospinal fluidin vivo. Exhibits no Notch toxicity. Brain penetrant.

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Tipo de acción

INHIBITOR

Pureza

≥98%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CC(C1=C(C=C(C=C1)F)CCCC(=O)O)N(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl
• IUPAC Name: 4-[2-[(1R)-1-(N-(4-chlorophenyl)sulfonyl-2,5-difluoroanilino)ethyl]-5-fluorophenyl]butanoic acid
• InChIKey: IZAOBRWCUGOKNH-OAHLLOKOSA-N
• INCHI: 1S/C24H21ClF3NO4S/c1-15(21-11-7-18(26)13-16(21)3-2-4-24(30)31)29(23-14-19(27)8-12-22(23)28)34(32,33)20-9-5-17(25)6-10-20/h5-15H,2-4H2,1H3,(H,30,31)/t15-/m1/s1
• Isómeros SMILES: C[C@H](C1=C(C=C(C=C1)F)CCCC(=O)O)N(C2=C(C=CC(=C2)F)F)S(=O)(=O)C3=CC=C(C=C3)Cl
• WGK Alemania: 3
• Peso molecular: 511.94
• Reaxy-Rn: 12448111
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12448111&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Sulfanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Sulfanilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfanilides
• Alternative Parents: Benzenesulfonamides Benzenesulfonyl compounds Chlorobenzenes Fluorobenzenes Aryl chlorides Organosulfonamides Aryl fluorides Aminosulfonyl compounds Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds Organofluorides Organonitrogen compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Benzenesulfonamide - Sulfanilide - Benzenesulfonyl group - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Organosulfonic acid amide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organohalogen compound - Organic oxygen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxide - Organopnictogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as sulfanilides. These are organic aromatic compounds containing a sulfanilide moiety, with the general structure RS(=O)(=O)NC1=CC=CC=C1.
• 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

Objetivos asociados (humanos)

APH1A Tbio Gamma-secretase (4915 Activities)

Discover Target: APH1A

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

Objetivos asociados (no humanos)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Mus musculus (284745 Activities)

Explore this target

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 51.19, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 51.19, Max Conc. mM: 100
• Peso molecular: 511.900 g/mol
• XLogP3: 5.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 9
• Exact Mass: 511.083 Da
• Monoisotopic Mass: 511.083 Da
• Topological Polar Surface Area: 83.100 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 775.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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