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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 , CAS No.M608763, Inhibitor of mitogen-activated protein kinase kinase kinase 12

COA

Grade & Purity:

Moligand™

PubChem CID: 11305809

In stock

Item Number

M608763

Grouped product items
SKU	Size	Availability	Price	Qty
M608763-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,300.90
M608763-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,000.90

View related series

mitogen-activated protein kinase kinase kinase 12 Inhibitor (6)

Basic Description

Synonyms	example 19 [US8084472];compound 16d
Specifications & Purity	Moligand™
Grade	Moligand™
Action Type	INHIBITOR
Mechanism of action	Inhibitor of mitogen-activated protein kinase kinase kinase 12

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
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

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

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
INCHI	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)
InChIKey	GCRBQBQLMPBGQC-UHFFFAOYSA-N
Smiles	Cn1nc2c(c1)c1c3C(=O)NCc3c3c(c1CC2)n(C(C)C)c1c3cc(cc1)Oc1ncccn1
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

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