Testolone (RAD140) - ≥97% , CAS No.1182367-47-0

CAS: 1182367-47-0 Cat. No.: T413261 Fórmula: C₂₀H₁₆ClN₅O₂ Peso molecular: 393.83 PubChem CID: 44200882

CALIDAD & PUREZA ≥97%

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 -20°C

Shipped In

Ice chest + Ice pads

Descripción general

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%).

Especificaciones

Sinónimos

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

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

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.

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

≥97%

Propiedades del producto

ALogP

3.596

Recuento HBD

2

Enlace rotable

5

Nombres e identificadores

Pubchem Sid

504770309

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504770309

Sonrisas canónicas

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

Isómeros 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

Peso molecular

393.83

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: 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
• Descripción: 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

Objetivos asociados (humanos)

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

Objetivos asociados (no humanos)

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Solubility (25°C) In vitro DMSO: 79 mg/mL (200.59 mM); Ethanol: 10 mg/mL (25.39 mM); Water: Insoluble
• DMSO (mg/ml) Solubilidad máxima: 78
• DMSO (mM) Solubilidad máxima: 198.054998349542
• Peso molecular: 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