K252b - ≥97%(HPLC) , CAS No.99570-78-2

CAS: 99570-78-2 Cat. No.: K139556 Fórmula: C₂₆H₁₉N₃O₅ Peso molecular: 453.5

GRADE & PURITY ≥97%(HPLC)

Synonyms

(5S,6R,8R)-6-Hydroxy-5-methyl-13-oxo-6,7,8,13,14,15-hexahydro-5H-16-oxa-4b,8a,14-triaza-5,8-methanodibenzo[b,h]cycloocta[jkl]cyclopenta[e]-as-indacene-6-carboxylic acid | AKOS030254879 | (5S,6R,8R)-6-Hydroxy-5-methyl-13-oxo-6,7,8,13,14,15-hexahydro-5H-16-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

K252B: an inhibitor of protein kinase A, C, G K-252b is a general, cell permeable protein kinase inhibitor which acts by binding to the ATP binding domain of the kinase. K-252b is a potent inhibitor of CaMKII (Ca2+/calmodulin kinase II), MYLK (myosin light chain kinase, Ki=0.147 μM), PKA (cAMP- dependent protein kinase, Ki=0.09 μM), PKC (protein kinase C, Ki=0.02 μM), and cGKI (cGMP-dependent protein kinase, Ki=0.1 μM).
An antibiotic and a strong inhibitor of protein kinase C (PKC)

Specifications

Sinónimos

(5S,6R,8R)-6-Hydroxy-5-methyl-13-oxo-6,7,8,13,14,15-hexahydro-5H-16-oxa-4b,8a,14-triaza-5,8-methanodibenzo[b,h]cycloocta[jkl]cyclopenta[e]-as-indacene-6-carboxylic acid | AKOS030254879 | (5S,6R,8R)-6-Hydroxy-5-methyl-13-oxo-6,7,8,13,14,15-hexahydro-5H-16-

Especificações e pureza

≥97%(HPLC)

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

INHIBITOR

Pureza

≥97%(HPLC)

Nomes e identificadores

Pubchem Sid

528765032

Sorrisos canónicos

CC12C(CC(O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)O)O

IUPAC Name

(15S,16R,18R)-16-hydroxy-15-methyl-3-oxo-28-oxa-4,14,19-triazaoctacyclo[12.11.2.115,18.02,6.07,27.08,13.019,26.020,25]octacosa-1,6,8,10,12,20,22,24,26-nonaene-16-carboxylic acid

InChIKey

AMSOPBXQXSAAAC-PLZPTFKGSA-N

INCHI

1S/C26H19N3O5/c1-25-26(33,24(31)32)10-17(34-25)28-15-8-4-2-6-12(15)19-20-14(11-27-23(20)30)18-13-7-3-5-9-16(13)29(25)22(18)21(19)28/h2-9,17,33H,10-11H2,1H3,(H,27,30)(H,31,32)/t17-,25+,26+/m1/s1

SMILES isoméricas

C[C@@]12[C@](C[C@@H](O1)N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)(C(=O)O)O

Peso molecular

453.5

Reaxy-Rn

8174680

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8174680&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Carbazoles
        • Level5 Pyrrolocarbazoles
          • Level6 Indolocarbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Pyrrolocarbazoles
• Direct Parent: Indolocarbazoles
• Alternative Parents: Pyrrolo[2,3-a]carbazoles Pyrroloindoles Isoindolones Indoles Alpha hydroxy acids and derivatives Benzenoids Tertiary alcohols Heteroaromatic compounds Pyrroles Oxolanes Lactams Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolocarbazole - Pyrrolo[2,3-a]carbazole - Pyrroloindole - Isoindolone - Indole - Isoindoline - Isoindole or derivatives - Alpha-hydroxy acid - Hydroxy acid - Benzenoid - Pyrrole - Oxolane - Tertiary alcohol - Heteroaromatic compound - Secondary carboxylic acid amide - Lactam - Carboxamide group - Oxacycle - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organic nitrogen compound - Alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as indolocarbazoles. These are polycyclic aromatic compounds containing an indole fused to a carbazole.
• 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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO (1 mg/ml), DMF (1 mg/ml), and methanol (2 mg/ml).
• Sensibilidade: Light & Air Sensitive & Hygroscopic
• Ponto de ebulição (°C): 769.82 °C at 760 mmHg
• Ponto de fusão (°C): 318.16°C
• Peso molecular: 453.400 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 453.132 Da
• Monoisotopic Mass: 453.132 Da
• Topological Polar Surface Area: 106.000 Ų
• Heavy Atom Count: 34
• Formal Charge: 0
• Complexity: 961.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 3
• 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