Testolone (RAD140) - 10mM in DMSO , CAS No.1182367-47-0

CAS: 1182367-47-0 Cat. No.: T420806 Molecular Weight: 393.83 PubChem CID: 44200882

GRADE & PURITY 10mM in DMSO

Synonyms

s5275 | AKOS030526290 | 2-chloro-4-((1R,2S)-1-(5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl)-2-hydroxypropylamino)-3-methylbenzonitrile | RAD140, | 2-chloro-4-[[(1R,2S)-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]-3-methylbenzonitrile | Ben

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Overview

Information

Testolone (RAD140) Testolone (RAD140) is a potent, orally bioavailable, nonsteroidal selective androgen receptor modulator with Ki value of 7 nM as well as good selectivity over other steroid hormone nuclear receptors.

Targets

Androgen Receptor 7 nM(Ki)

In vivo

The stability of RAD140 is high (t_1/2 > 2 h) in incubations with rat, monkey, and human microsomes, and it also has good bioavailability in rats (F = 27−63%) and monkeys (65−75%).

Specifications

Synonyms

s5275 | AKOS030526290 | 2-chloro-4-((1R, 2S)-1-(5-(4-cyanophenyl)-1, 3, 4-oxadiazol-2-yl)-2-hydroxypropylamino)-3-methylbenzonitrile | RAD140, | 2-chloro-4-[[(1R, 2S)-1-[5-(4-cyanophenyl)-1, 3, 4-oxadiazol-2-yl]-2-hydroxypropyl]amino]-3-methylbenzonitrile | Ben

Specifications & Purity

10mM in DMSO

Biochemical and Physiological Mechanisms

Testolone (RAD140) is a potent, orally bioavailable, nonsteroidal selective androgen receptor modulator with Ki value of 7 nM as well as good selectivity over other steroid hormone nuclear receptors.

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

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

Product Properties

• ALogP: 3.596
• HBD Count: 2
• Rotatable Bond: 5

Names and Identifiers

• Pubchem Sid: 528773962
• Canonical Smiles: CC1=C(C=CC(=C1Cl)C#N)NC(C2=NN=C(O2)C3=CC=C(C=C3)C#N)C(C)O
• IUPAC Name: 2-chloro-4-[[(1R,2S)-1-[5-(4-cyanophenyl)-1,3,4-oxadiazol-2-yl]-2-hydroxypropyl]amino]-3-methylbenzonitrile
• InChIKey: XMBUPPIEVAFYHO-KPZWWZAWSA-N
• INCHI: 1S/C20H16ClN5O2/c1-11-16(8-7-15(10-23)17(11)21)24-18(12(2)27)20-26-25-19(28-20)14-5-3-13(9-22)4-6-14/h3-8,12,18,24,27H,1-2H3/t12-,18+/m0/s1
• Isomeric SMILES: CC1=C(C=CC(=C1Cl)C#N)N[C@@H](C2=NN=C(O2)C3=CC=C(C=C3)C#N)[C@H](C)O
• PubChem CID: 44200882
• Molecular Weight: 393.83

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzonitriles
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzonitriles
• Alternative Parents: Phenylalkylamines Aniline and substituted anilines Aminotoluenes Secondary alkylarylamines Chlorobenzenes Aryl chlorides Heteroaromatic compounds 1,3,4-oxadiazoles Secondary alcohols 1,2-aminoalcohols Oxacyclic compounds Nitriles Azacyclic compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzonitrile - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Aralkylamine - Chlorobenzene - Toluene - Halobenzene - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl halide - Heteroaromatic compound - Azole - 1,3,4-oxadiazole - Oxadiazole - 1,2-aminoalcohol - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Carbonitrile - Nitrile - Hydrocarbon derivative - Cyanide - Alcohol - Amine - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzonitriles. These are organic compounds containing a benzene bearing a nitrile substituent.
• 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)

PGR Tclin Progesterone receptor (8562 Activities)

Discover Target: PGR

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

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)

Rattus norvegicus (775804 Activities)

Explore this target

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

Rhesus monkey (3147 Activities)

Explore this target

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

Mechanisms of Action

Chemical and Physical Properties

• DMSO(mg / mL) Max Solubility: 78
• DMSO(mM) Max Solubility: 198.054998349542
• Molecular Weight: 393.800 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 393.099 Da
• Monoisotopic Mass: 393.099 Da
• Topological Polar Surface Area: 119.000 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 623.000
• 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