2‐Methyl‐11‐(1‐methylethyl)‐8‐(pyrimidin‐2‐yloxy)‐2,5,6,11,12,13‐hexahydro‐4H‐indazolo[5,4‐a]pyrrolo[3,4‐c]carbazol‐4‐one - Moligand™ , Inhibitor of mitogen-activated protein kinase kinase kinase 12, CAS No.M608763, Inhibitor of mitogen-activated protein kinase kinase kinase 12

CAS: M608763 Cat. No.: M608763 PubChem CID: 11305809

GRADE & PURITY Moligand™

Synonyms

example 19 [US8084472];compound 16d

Storage

Room temperature

Specifications

Synonyms

example 19 [US8084472];compound 16d

Specifications & Purity

Moligand™

Storage

Room temperature

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of mitogen-activated protein kinase kinase kinase 12

Names and Identifiers

• Canonical Smiles: Cn1nc2c(c1)c1c3C(=O)NCc3c3c(c1CC2)n(C(C)C)c1c3cc(cc1)Oc1ncccn1
• IUPAC Name: 2‐Methyl‐11‐(1‐methylethyl)‐8‐(pyrimidin‐2‐yloxy)‐2,5,6,11,12,13‐hexahydro‐4H‐indazolo[5,4‐a]pyrrolo[3,4‐c]carbazol‐4‐one
• InChIKey: GCRBQBQLMPBGQC-UHFFFAOYSA-N
• INCHI: 1S/C27H24N6O2/c1-14(2)33-21-8-5-15(35-27-28-9-4-10-29-27)11-17(21)23-18-12-30-26(34)24(18)22-16(25(23)33)6-7-20-19(22)13-32(3)31-20/h4-5,8-11,13-14H,6-7,12H2,1-3H3,(H,30,34)
• Isomeric SMILES: CC(C)N1C2=C(C=C(C=C2)OC3=NC=CC=N3)C4=C1C5=C(C6=CN(N=C6CC5)C)C7=C4CNC7=O
• PubChem CID: 11305809

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Carbazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Carbazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolocarbazoles
• Alternative Parents: Diarylethers Isoindolones N-alkylindoles Naphthalenes Indoles Phenol ethers Pyrimidines and pyrimidine derivatives Substituted pyrroles Pyrazoles Heteroaromatic compounds Lactams Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyrrolocarbazole - Diaryl ether - N-alkylindole - Isoindolone - Naphthalene - Indole - Isoindoline - Isoindole or derivatives - Phenol ether - Substituted pyrrole - Benzenoid - Pyrimidine - Pyrrole - Pyrazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Lactam - Ether - Carboxylic acid derivative - Azacycle - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolocarbazoles. These are compounds containing a pyrrolocarbazole moiety, which is a tetracyclic heterocycle which consists of a pyrrole ring 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

Associated Targets(Human)

DLK1 Tchem Protein delta homolog 1 (1 Activities)

Discover Target: DLK1

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

MAP3K12 Tchem Mitogen-activated protein kinase kinase kinase 12 (1 Activities)

Discover Target: MAP3K12

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

Mechanisms of Action