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

CAS: 116839-68-0 Cat. No.: B647602 Summenformel: C₂₀H₂₃N₃O₂ Molekulargewicht: 337.42 PubChem CID: 11249342

QUALITÄT & REINHEIT 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

Übersicht

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

Form:Solid

IC50& Target:AChE

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

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

Isomere SMILES

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

Alternative CAS-Nummer

159652-53-6,116839-68-0

PubChem CID

11249342

MeSH-Eintrag

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

Molekulargewicht

337.42

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: DMSO : 230 mg/mL (681.64 mM; Need ultrasonic)
• Molekulargewicht: 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