ACP-105 - ≥99% , CAS No.899821-23-9

CAS: 899821-23-9 Cat. No.: A412578 Molecular Weight: 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

Overview

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

Synonyms

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

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

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.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504766614
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766614
• Canonical Smiles: 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?
• Isomeric SMILES: CC1=C(C=CC(=C1Cl)C#N)N2[C@@H]3CC[C@H]2CC(C3)(C)O
• Molecular Weight: 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
    • Class Piperidines
      • Subclass Phenylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

AR Tclin Androgen Receptor (11781 Activities)

Discover Target: AR

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

Associated Targets(non-human)

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)

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 58 mg/mL (199.45 mM); Ethanol: 58 mg/mL (199.45 mM); Water: Insoluble
• Molecular Weight: 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