ACP-105 - ≥99% , CAS No.899821-23-9

CAS: 899821-23-9 Cat. No.: A412578 Peso molecular: 290.79

GRADE & PURITY ≥99%

Synonyms

Benzonitrile,2-​chloro-​4-​[(3-​endo)​-​3-​hydroxy-​3-​methyl-​8-​azabicyclo[3.2.1]​oct-​8-​yl]​-​3-​methyl-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Descripción general

Information

ACP-105 ACP-105 is an orally available and potent selective androgen receptor modulator (SARM) with pEC50 of 9.0 and 9.4 for AR wild type and AR mutation T877A, respectively.

Targets

AR mutation T877A (Cell-free assay); AR wild type (Cell-free assay) 9.4(pEC50); 9.0(pEC50)

Specifications

Sinónimos

Benzonitrile, 2-​chloro-​4-​[(3-​endo)​-​3-​hydroxy-​3-​methyl-​8-​azabicyclo[3.2.1]​oct-​8-​yl]​-​3-​methyl-

Especificaciones y pureza

≥99%

Mecanismos bioquímicos y fisiológicos

ACP-105 is an orally available and potent selective androgen receptor modulator (SARM) with pEC50 of 9.0 and 9.4 for AR wild type and AR mutation T877A, respectively.

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.

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 504766614
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766614
• Sonrisas canónicas: CC1=C(C=CC(=C1Cl)C#N)N2C3CCC2CC(C3)(C)O
• IUPAC Name: 2-chloro-4-[(1R,5S)-3-hydroxy-3-methyl-8-azabicyclo[3.2.1]octan-8-yl]-3-methylbenzonitrile
• InChIKey: OUEODVPKPRQETQ-OCZCAGDBSA-N
• INCHI: 1S/C16H19ClN2O/c1-10-14(6-3-11(9-18)15(10)17)19-12-4-5-13(19)8-16(2,20)7-12/h3,6,12-13,20H,4-5,7-8H2,1-2H3/t12-,13+,16?
• Isómeros SMILES: CC1=C(C=CC(=C1Cl)C#N)N2[C@@H]3CC[C@H]2CC(C3)(C)O
• Peso molecular: 290.79
• Reaxy-Rn: 25081181
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25081181&ln=

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: Phenylpyrrolidines Tropane alkaloids Dialkylarylamines Benzonitriles Aniline and substituted anilines Aminotoluenes Chlorobenzenes Aryl chlorides Tertiary alcohols Pyrroles Cyclic alcohols and derivatives Nitriles Azacyclic compounds Organopnictogen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Phenylpiperidine - 1-phenylpyrrolidine - Tropane alkaloid - Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Benzonitrile - Toluene - Halobenzene - Chlorobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Tertiary alcohol - Pyrrolidine - Pyrrole - Cyclic alcohol - Tertiary amine - Azacycle - Nitrile - Carbonitrile - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Alcohol - Aromatic heteropolycyclic 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

Objetivos asociados (humanos)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

Objetivos asociados (no humanos)

Canis familiaris (36305 Activities)

Explore this target

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 58 mg/mL (199.45 mM); Ethanol: 58 mg/mL (199.45 mM); Water: Insoluble
• Peso molecular: 290.790 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 290.119 Da
• Monoisotopic Mass: 290.119 Da
• Topological Polar Surface Area: 47.300 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 417.000
• 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