Buntanetap - Moligand™, ≥98% , CAS No.116839-68-0

CAS: 116839-68-0 Cat. No.: B647602 Fórmula: C₂₀H₂₃N₃O₂ Peso molecular: 337.42 PubChem CID: 11249342

CALIDAD & PUREZA Moligand™, ≥98%

Synonyms

UNII-Z0O4TJ588O | F82032 | ANVS401 | ANVS-401 | buntanetap [INN] | MS-25127 | Phenserine, (+)- | WHO 12342 | R-Phenserine | HY-16009 | Z0O4TJ588O | (+)-O-(Phenylcarbamoyl)eseroline | posiphen | SCHEMBL23874278 | Pyrrolo(2,3-b)indol-5-ol, 1,2,3,3a,8,8a-hex

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Buntanetap ((+)-Phenserine) is a novel selective cholinesterase noncompetitive inhibitor with an IC 50 of 45.3 μM.

Form:Solid

IC50& Target:AChE

Especificaciones

Sinónimos

UNII-Z0O4TJ588O | F82032 | ANVS401 | ANVS-401 | buntanetap [INN] | MS-25127 | Phenserine, (+)- | WHO 12342 | R-Phenserine | HY-16009 | Z0O4TJ588O | (+)-O-(Phenylcarbamoyl)eseroline | posiphen | SCHEMBL23874278 | Pyrrolo(2,3-b)indol-5-ol, 1,2,3,3a,8,8a-hex

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

Buntanetap ((+)-Phenserine) is a selective acetylcholinesterase inhibitor. Buntanetap is a multiple neurotoxic protein translation inhibitor, including amyloid precursor protein (APP), α-synuclein (αSYN) and huntingtin protein (HTT). Buntanetap reduces th

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.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

CC12CCN(C1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)C

IUPAC Name

[(3aS,8bR)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N-phenylcarbamate

InChIKey

PBHFNBQPZCRWQP-AZUAARDMSA-N

INCHI

1S/C20H23N3O2/c1-20-11-12-22(2)18(20)23(3)17-10-9-15(13-16(17)20)25-19(24)21-14-7-5-4-6-8-14/h4-10,13,18H,11-12H2,1-3H3,(H,21,24)/t18-,20+/m0/s1

Isómeros SMILES

C[C@]12CCN([C@H]1N(C3=C2C=C(C=C3)OC(=O)NC4=CC=CC=C4)C)C

CAS alternativo

159652-53-6,116839-68-0

PubChem CID

11249342

Términos de entrada MeSH

N-phenylcarbamoyl eseroline;N-phenylcarbamoyleseroline;phenserine;posiphen

Peso molecular

337.42

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Pyrroloindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Pyrroloindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrroloindoles
• Alternative Parents: Phenylcarbamic acid esters Indoles Dialkylarylamines N-alkylpyrrolidines Pyrroles Carbamate esters Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrroloindole - Phenylcarbamic acid ester - Indole - Dialkylarylamine - Monocyclic benzene moiety - Benzenoid - N-alkylpyrrolidine - Pyrrole - Pyrrolidine - Carbamic acid ester - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyrroloindoles. These are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.
• 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 : 230 mg/mL (681.64 mM; Need ultrasonic)
• Peso molecular: 337.400 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 337.179 Da
• Monoisotopic Mass: 337.179 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 507.000
• 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