GSM-1 - ≥98% , CAS No.884600-68-4

CAS: 884600-68-4 Cat. No.: G651216 Fórmula: C₂₆H₃₁ClF₃NO₂ Peso molecular: 481.98 PubChem CID: 57987388

GRADE & PURITY ≥98%

Synonyms

4-Piperidineacetic acid, 1-((1R)-1-(4-chlorophenyl)-4-methylpentyl)-2-(4-(trifluoromethyl)phenyl)-,(2S,4R)- | SCHEMBL2855563 | (2S)-1-((.ALPHA.R)-.ALPHA.-(3-METHYLBUTYL)-4-CHLOROBENZYL)-2.ALPHA.-(4-(TRIFLUOROMETHYL)PHENYL)PIPERIDINE-4.ALPHA.-ACETIC ACID |

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

GSM-1 is a potent γ-secretase modulator. GSM-1 directly targets the transmembrane domain (TMD) 1 of presenilin 1 (PS1).

In Vitro

GSM-1 increases the levels of Aβ 38 produced from WT APP. GSM-1 potently loweres the levels of Aβ 42 of WT APP and all the Phe mutants by ∼70–80%, even for the V44F mutant, which produced only extremely small amounts of Aβ 42. GSM-1 directly binds to the N-terminal fragment of PS1. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

Specifications

Sinónimos

4-Piperidineacetic acid, 1-((1R)-1-(4-chlorophenyl)-4-methylpentyl)-2-(4-(trifluoromethyl)phenyl)-,(2S,4R)- | SCHEMBL2855563 | (2S)-1-((.ALPHA.R)-.ALPHA.-(3-METHYLBUTYL)-4-CHLOROBENZYL)-2.ALPHA.-(4-(TRIFLUOROMETHYL)PHENYL)PIPERIDINE-4.ALPHA.-ACETIC ACID |

Especificaciones y pureza

≥98%

Mecanismos bioquímicos y fisiológicos

GSM-1 is a potent γ-secretase modulator. GSM-1 directly targets the transmembrane domain (TMD) 1 of presenilin 1 (PS1).

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

MODULATOR

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CC(C)CCC(C1=CC=C(C=C1)Cl)N2CCC(CC2C3=CC=C(C=C3)C(F)(F)F)CC(=O)O

IUPAC Name

2-[(2S,4R)-1-[(1R)-1-(4-chlorophenyl)-4-methylpentyl]-2-[4-(trifluoromethyl)phenyl]piperidin-4-yl]acetic acid

InChIKey

VMVWLAPASRQXFL-QFWMQHCXSA-N

INCHI

1S/C26H31ClF3NO2/c1-17(2)3-12-23(19-6-10-22(27)11-7-19)31-14-13-18(16-25(32)33)15-24(31)20-4-8-21(9-5-20)26(28,29)30/h4-11,17-18,23-24H,3,12-16H2,1-2H3,(H,32,33)/t18-,23-,24+/m1/s1

Isómeros SMILES

CC(C)CC[C@H](C1=CC=C(C=C1)Cl)N2CC[C@H](C[C@H]2C3=CC=C(C=C3)C(F)(F)F)CC(=O)O

CAS alternativo

884600-68-4

PubChem CID

57987388

Peso molecular

481.98

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Phenylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpiperidines
• Alternative Parents: Trifluoromethylbenzenes Chlorobenzenes Aralkylamines Aryl chlorides Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenylpiperidine - Trifluoromethylbenzene - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Tertiary aliphatic amine - Tertiary amine - Amino acid - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organofluoride - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenylpiperidines. These are compounds containing a phenylpiperidine skeleton, which consists of a piperidine bound to a phenyl 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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: DMSO : 100 mg/mL (207.48 mM; Need ultrasonic)
• Peso molecular: 482.000 g/mol
• XLogP3: 4.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 481.2 Da
• Monoisotopic Mass: 481.2 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 613.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). 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 884600-68-4, the molecular formula is C26H31ClF3NO2, and the molecular weight is 481.98 g/mol. InChIKey VMVWLAPASRQXFL-QFWMQHCXSA-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.