KT5720 - Moligand™, ≥97%(HPLC) , Allosteric modulator of M 1 receptor;Allosteric modulator of M 4 receptor, CAS No.108068-98-0, Allosteric modulator of M 1 receptor;Allosteric modulator of M 4 receptor

CAS: 108068-98-0 Cat. No.: K139563 Peso molecular: 537.6 Número EC: 810-587-2

GRADE & PURITY Moligand™, ≥97%(HPLC)

Synonyms

58HV29I28S | KT5720 - CAS 108068-98-0 | Hexyl (15R,16R,18S)-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-carboxylate | HY-N6789 | 9,12-Epoxy-1H-diindolo

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

KT5720: A selective inhibitor of cAMP-dependent protein kinase (PKA)
A potent, specific and cell-permeable inhibitor of PKA

Specifications

Sinónimos

58HV29I28S | KT5720 - CAS 108068-98-0 | Hexyl (15R, 16R, 18S)-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-carboxylate | HY-N6789 | 9, 12-Epoxy-1H-diindolo

Especificaciones y pureza

Moligand™, ≥97%(HPLC)

Mecanismos bioquímicos y fisiológicos

Potent, selective protein kinase A (K i = 60 nM) inhibitor . Reversibly arrests human skin fibroblasts in the G1 phase. Cell permeable.

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ALLOSTERIC MODULATOR

Mecanismo de acción

Allosteric modulator of M 1 receptor;Allosteric modulator of M 4 receptor

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥97%(HPLC)

Nombres e identificadores

• Sonrisas canónicas: CCCCCCOC(=O)C1(CC2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C7=C53)C1(O2)C)CNC6=O)O
• IUPAC Name: hexyl (15R,16S,18S)-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-carboxylate
• InChIKey: ZHEHVZXPFVXKEY-RUAOOFDTSA-N
• INCHI: 1S/C32H31N3O5/c1-3-4-5-10-15-39-30(37)32(38)16-23-34-21-13-8-6-11-18(21)25-26-20(17-33-29(26)36)24-19-12-7-9-14-22(19)35(28(24)27(25)34)31(32,2)40-23/h6-9,11-14,23,38H,3-5,10,15-17H2,1-2H3,(H,33,36)/t23-,31+,32+/m0/s1
• Isómeros SMILES: CCCCCCOC(=O)[C@@]1(C[C@H]2N3C4=CC=CC=C4C5=C6C(=C7C8=CC=CC=C8N(C7=C53)[C@@]1(O2)C)CNC6=O)O
• WGK Alemania: 3
• Peso molecular: 537.6
• Reaxy-Rn: 8178055
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8178055&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Pyrrolocarbazoles
• Direct Parent: Indolocarbazoles
• Alternative Parents: Pyrrolo[2,3-a]carbazoles Pyrroloindoles Isoindolones Indoles Benzenoids Tetrahydrofurans Tertiary alcohols Pyrroles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Lactams Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Carbonyl compounds Organonitrogen compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolocarbazole - Pyrrolo[2,3-a]carbazole - Pyrroloindole - Isoindolone - Indole - Isoindoline - Isoindole or derivatives - Benzenoid - Pyrrole - Heteroaromatic compound - Tertiary alcohol - Tetrahydrofuran - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid ester - Azacycle - Oxacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Alcohol - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organooxygen compound - Aromatic heteropolycyclic compound
• Descripción: 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: tertiary alcohol - carboxylic ester - hemiaminal - semisynthetic derivative - gamma-lactam - organic heterooctacyclic compound - indolocarbazole

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)

CHRM4 Tclin Muscarinic acetylcholine receptor M4 (1 Activities)

Discover Target: CHRM4

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

CHRM1 Tclin Muscarinic acetylcholine receptor M1 (1 Activities)

Discover Target: CHRM1

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

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO, methanol (5 mg/ml), and DMF.
• Sensibilidad: Light Sensitive
• Punto de ebullición (°C): 714.96 °C at 760 mmHg
• Peso molecular: 537.600 g/mol
• XLogP3: 5.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 537.226 Da
• Monoisotopic Mass: 537.226 Da
• Topological Polar Surface Area: 94.700 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 1060.000
• 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