Andarine - Moligand™, ≥98% , Agonist of Androgen receptor, CAS No.401900-40-1, Agonist of Androgen receptor

CAS: 401900-40-1 Cat. No.: A125505 Molecular Weight: 441.36 Beilstein Registry Number: 9666695 EC Number: 803-892-7

GRADE & PURITY Moligand™, ≥98%

Synonyms

AC-26920 | 3b68 | S-3-(4-Acetylamino-phenoxy)-2-hydroxy-2-methyl-n-(4-nitro-3-trifluoromethyl-phenyl)-propionamide | YVXVTLGIDOACBJ-SFHVURJKSA-N | (2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide | HY-12023 |

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Andarine is a selective non-steroidal androgen receptor (AR) agonist with Ki of 4 nM, tissue-selective for anabolic organs
An androgen receptor (AR) agonist with Ki of 4 nM.

Specifications

Synonyms

AC-26920 | 3b68 | S-3-(4-Acetylamino-phenoxy)-2-hydroxy-2-methyl-n-(4-nitro-3-trifluoromethyl-phenyl)-propionamide | YVXVTLGIDOACBJ-SFHVURJKSA-N | (2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide | HY-12023 |

Specifications & Purity

Moligand™, ≥98%

Biochemical and Physiological Mechanisms

Andarine is a selective nonsteroidal androgen receptor (AR) agonist with Ki of 4 nM. Andarine exhibits potent and efficacious anabolic activity and results in dose-dependent stimulation of growth in prostate, seminal vesicles, and levator ani muscle with

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

AGONIST

Mechanism of action

Agonist of Androgen receptor

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(=O)NC1=CC=C(C=C1)OCC(C)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O
• IUPAC Name: (2S)-3-(4-acetamidophenoxy)-2-hydroxy-2-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]propanamide
• InChIKey: YVXVTLGIDOACBJ-SFHVURJKSA-N
• INCHI: 1S/C19H18F3N3O6/c1-11(26)23-12-3-6-14(7-4-12)31-10-18(2,28)17(27)24-13-5-8-16(25(29)30)15(9-13)19(20,21)22/h3-9,28H,10H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1
• Isomeric SMILES: CC(=O)NC1=CC=C(C=C1)OC[C@@](C)(C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(F)(F)F)O
• Molecular Weight: 441.36
• Beilstein: 9666695
• Reaxy-Rn: 25414523
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=25414523&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Acetanilides
• Alternative Parents: Trifluoromethylbenzenes N-acetylarylamines Nitrobenzenes Phenoxy compounds Phenol ethers Nitroaromatic compounds Alkyl aryl ethers Tertiary alcohols Acetamides Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic zwitterions Organofluorides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Organopnictogen compounds Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Acetanilide - Trifluoromethylbenzene - N-acetylarylamine - Nitrobenzene - Phenoxy compound - Nitroaromatic compound - Phenol ether - N-arylamide - Alkyl aryl ether - Acetamide - Tertiary alcohol - Carboxamide group - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organofluoride - Alkyl fluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Alcohol - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Alkyl halide - Organic oxygen compound - Organic zwitterion - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as acetanilides. These are organic compounds containing an acetamide group conjugated 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 (2 Activities)

Discover Target: AR

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

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)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: DMSO ≥85mg/mL Water <1.2mg/mL Ethanol ≥85mg/mL
• Molecular Weight: 441.400 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 6
• Exact Mass: 441.115 Da
• Monoisotopic Mass: 441.115 Da
• Topological Polar Surface Area: 133.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 663.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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