1,2,3,4-Tetrahydrostaurosporine , CAS No.220038-19-7

CAS: 220038-19-7 Cat. No.: T276512 Peso molecular: 470.6 PubChem CID: 4369398

Synonyms

1,2,3,4-TETRAHYDROGEN-STAUROSPORINE | AFN 941 | Q27454934 | (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),14,19,21,23,25,27-heptaen-16-one | DTXSID80402482 | (5S

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Descripción general

Store at -20°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Sinónimos

1, 2, 3, 4-TETRAHYDROGEN-STAUROSPORINE | AFN 941 | Q27454934 | (2S, 3R, 4R, 6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1, 7, 17-triazaoctacyclo[12.12.2.12, 6.07, 28.08, 13.015, 19.020, 27.021, 26]nonacosa-8(13), 14, 19, 21, 23, 25, 27-heptaen-16-one | DTXSID80402482 | (5S

Mecanismos bioquímicos y fisiológicos

Staurosporine derivative used as an isoenzyme PKCα inhibitor and as an anticancer agent.

Condiciones de almacenamiento de almacenamiento

Store at -20°C, Desiccated

Enviado en

Ice chest + Ice pads

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

Tipo de acción

INHIBITOR

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.

Nombres e identificadores

• Sonrisas canónicas: CC12C(C(CC(O1)N3C4=C(CCCC4)C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC
• IUPAC Name: (2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-29-oxa-1,7,17-triazaoctacyclo[12.12.2.12,6.07,28.08,13.015,19.020,27.021,26]nonacosa-8(13),14,19,21,23,25,27-heptaen-16-one
• InChIKey: KIZWKTROWIIMNN-FYTWVXJKSA-N
• INCHI: 1S/C28H30N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h5,7,9,11,17,20,26,29H,4,6,8,10,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
• Isómeros SMILES: C[C@@]12[C@@H]([C@@H](C[C@@H](O1)N3C4=C(CCCC4)C5=C6C(=C7C8=CC=CC=C8N2C7=C53)CNC6=O)NC)OC
• PubChem CID: 4369398
• Peso molecular: 470.6

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 3-alkylindoles Isoindolones Benzenoids Oxanes Pyrroles Heteroaromatic compounds Lactams Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Indolocarbazole - Pyrrolo[2,3-a]carbazole - Pyrroloindole - 3-alkylindole - Isoindolone - Indole - Isoindoline - Isoindole or derivatives - Benzenoid - Oxane - Heteroaromatic compound - Pyrrole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Ether - Oxacycle - Azacycle - Secondary amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen 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: 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: DMSO
• Peso molecular: 470.600 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 470.232 Da
• Monoisotopic Mass: 470.232 Da
• Topological Polar Surface Area: 69.500 Ų
• Heavy Atom Count: 35
• Formal Charge: 0
• Complexity: 901.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• 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