PF-3084014 - Moligand™, ≥98% , Gamma-secretase inhibitor, CAS No.1290543-63-3, Gamma-secretase inhibitor

CAS: 1290543-63-3 Cat. No.: P127448 Formule: C₂₇H₄₁F₂N₅O Poids moléculaire: 489.64 Numéro CE: 110-175-6

GRADE & PURITY Moligand™, ≥98%

Synonyms

NCGC00091375-02 | A11993 | A910640 | EX-A855 | PF3084014 | PF-3084014 | (S)-2-(((S)-6,8-Difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino)-N-(1-(2-methyl-1-(neopentylamino)propan-2-yl)-1H-imidazol-4-yl)pentanamide | 2-(5,7-difluoro-1,2,3,4-tetrahydronaphth

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

NCGC00091375-02 | A11993 | A910640 | EX-A855 | PF3084014 | PF-3084014 | (S)-2-(((S)-6,8-Difluoro-1,2,3,4-tetrahydronaphthalen-2-yl)amino)-N-(1-(2-methyl-1-(neopentylamino)propan-2-yl)-1H-imidazol-4-yl)pentanamide | 2-(5,7-difluoro-1,2,3,4-tetrahydronaphth

Spécifications et pureté

Moligand™, ≥98%

Mécanismes biochimiques et physiologiques

Description:
IC50 Value: 1.2 nM (whole-cell assay);6.2 nM (cell-free assay) [1]
PF-03084014 is a novel gamma-secretase inhibitor that reduces amyloid-beta (Abeta) production with an in vitro IC(50) of 1.2 nM (whole-cell assay) t

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Grade

Moligand™

Type d'action

INHIBITOR

Mécanisme d'action

Gamma-secretase inhibitor

Pureté

≥98%

Noms et identifiants

• Pubchem Sid: 504770696
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504770696
• Sourires canoniques: CCCC(C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C)NC2CCC3=C(C2)C(=CC(=C3)F)F
• IUPAC Name: (2S)-2-[[(2S)-6,8-difluoro-1,2,3,4-tetrahydronaphthalen-2-yl]amino]-N-[1-[1-(2,2-dimethylpropylamino)-2-methylpropan-2-yl]imidazol-4-yl]pentanamide
• InChIKey: VFCRKLWBYMDAED-REWPJTCUSA-N
• INCHI: 1S/C27H41F2N5O/c1-7-8-23(32-20-10-9-18-11-19(28)12-22(29)21(18)13-20)25(35)33-24-14-34(17-31-24)27(5,6)16-30-15-26(2,3)4/h11-12,14,17,20,23,30,32H,7-10,13,15-16H2,1-6H3,(H,33,35)/t20-,23-/m0/s1
• Isomères SMILES: CCC[C@@H](C(=O)NC1=CN(C=N1)C(C)(C)CNCC(C)(C)C)N[C@H]2CCC3=C(C2)C(=CC(=C3)F)F
• CAS alternatif: 1962925-29-6
• Poids moléculaire: 489.64
• Reaxy-Rn: 12393278
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=12393278&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acid amides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives
• Direct Parent: Alpha amino acid amides
• Alternative Parents: Tetralins N-arylamides Aralkylamines N-substituted imidazoles Imidolactams Fatty amides Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Dialkylamines Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alpha-amino acid amide - Tetralin - N-arylamide - Aralkylamine - Aryl fluoride - Aryl halide - Fatty acyl - Fatty amide - Imidolactam - Benzenoid - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as alpha amino acid amides. These are amide derivatives of alpha amino acids.
• 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

Cibles associées (humaines)

APH1A Tbio Gamma-secretase (4915 Activities)

Discover Target: APH1A

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

GSAP Tchem Gamma-secretase-activating protein (3 Activities)

Discover Target: GSAP

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

Cibles associées (non humaines)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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Cavia porcellus (23802 Activities)

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rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : ≥ 50 mg/mL (102.12 mM);H2O : < 0.1 mg/mL (insoluble)
• Poids moléculaire: 489.600 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 11
• Exact Mass: 489.328 Da
• Monoisotopic Mass: 489.328 Da
• Topological Polar Surface Area: 71.000 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 685.000
• 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