Clorhidrato de LY-333531 - ≥97% , CAS No.169939-93-9

CAS: 169939-93-9 Cat. No.: L274839 Peso molecular: 505.01

GRADE & PURITY ≥97%

Synonyms

LY333531 HCl | (9S)-9-[(DiMethylaMino)Methyl]-6,7,10,11-tetrahydro-9H,18H-5,21:12,17-DiMethenodibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione Hydrochloride;LY333531 Hydrochloride | 9H,18H-5,21:12,17-Dimethenodibenzo[e,k]pyrrolo[

Storage

Protegido de la luz,Almacenar a -20°C,Desecado

Shipped In

Hielera + almohadillas de hielo

Descripción general

Enviado a 4°C. Almacenar a -20°C. Almacenar en condiciones de desecación.

Specifications

Sinónimos

LY333531 HCl | (9S)-9-[(DiMethylaMino)Methyl]-6, 7, 10, 11-tetrahydro-9H, 18H-5, 21:12, 17-DiMethenodibenzo[e, k]pyrrolo[3, 4-h][1, 4, 13]oxadiazacyclohexadecine-18, 20(19H)-dione Hydrochloride;LY333531 Hydrochloride | 9H, 18H-5, 21:12, 17-Dimethenodibenzo[e, k]pyrrolo[

Especificaciones y pureza

≥97%

Mecanismos bioquímicos y fisiológicos

Potente inhibidor isoenzimático selectivo de la proteína cinasa Cβ (PKCβ). Inhibe competitivamente la PKCßI y la PKCßII (los valores de IC 50 son 4, 7 y 5, 9 nM respectivamente). 76 y 61 veces selectivo para la inhibición de PKCßI y PKCßII en comparación co

Condiciones de almacenamiento de almacenamiento

Protegido de la luz, Almacenar a -20°C, Desecado

Enviado en

Hielera + almohadillas de hielo

Nota

Siempre que sea posible, prepare y utilice las soluciones el mismo día. Sin embargo, si necesita preparar soluciones madre con antelación, le recomendamos que almacene la solución como alícuotas en viales herméticamente cerrados a -20°C. Por lo general, podrán utilizarse durante un mes. Antes de su uso, y antes de abrir el vial, le recomendamos que deje que el producto se equilibre a temperatura ambiente durante al menos 1 hora. ¿Necesita más consejos sobre solubilidad, uso y manipulación? Visite nuestra página de preguntas frecuentes (FAQ) para obtener más información.

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488196381
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196381
• Sonrisas canónicas: CN(C)CC1CCN2C=C(C3=CC=CC=C32)C4=C(C5=CN(CCO1)C6=CC=CC=C65)C(=O)NC4=O.Cl
• IUPAC Name: (18S)-18-[(dimethylamino)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione;hydrochloride
• InChIKey: NYQIEYDJYFVLPO-FERBBOLQSA-N
• INCHI: 1S/C28H28N4O3.ClH/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24;/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34);1H/t18-;/m0./s1
• Isómeros SMILES: CN(C)C[C@@H]1CCN2C=C(C3=CC=CC=C32)C4=C(C5=CN(CCO1)C6=CC=CC=C65)C(=O)NC4=O.Cl
• WGK Alemania: 3
• Peso molecular: 505.01
• Reaxy-Rn: 24486080
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=24486080&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Macrolactams

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Macrolactams
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Macrolactams
• Alternative Parents: Indoles Maleimides Benzenoids Pyrrolines Pyrroles N-unsubstituted carboxylic acid imides Heteroaromatic compounds Dicarboximides Trialkylamines Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Hydrochlorides Organic oxides
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Macrolactam - Indole - Indole or derivatives - Maleimide - Benzenoid - Carboxylic acid imide - Dicarboximide - Carboxylic acid imide, n-unsubstituted - Pyrrole - Pyrroline - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxylic acid derivative - Oxacycle - Azacycle - Organoheterocyclic compound - Dialkyl ether - Ether - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Organonitrogen compound - Hydrochloride - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as macrolactams. These are cyclic amides of amino carboxylic acids, having a 1-azacycloalkan-2-one structure, or analogues having unsaturation or heteroatoms replacing one or more carbon atoms of the ring. They are nitrogen analogues (the a nitrogen atom replacing the o atom of the cyclic carboxylic acid group ) of the naturally occurring macrolides.
• 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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO to 20 mM
• Sensibilidad: Light sensitive;Moisture sensitive
• Peso molecular: 505.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 504.193 Da
• Monoisotopic Mass: 504.193 Da
• Topological Polar Surface Area: 68.500 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 872.000
• 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: 2

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