12-(2-cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo(2,3-a)pyrrolo(3,4-c)carbazole

HCID 3501CAS 136194-77-9
Substructure searchFind similar structures

Basic information

Standard SMILES
Cn1c2ccccc2c2c3c(c4c5ccccc5n(CCC#N)c4c21)CNC3=O
InChIKey
VWVYILCFSYNJHF-UHFFFAOYSA-N
Molecular formula
C24H18N4O
Average molar mass
378.4 g/mol
Monoisotopic mass
378.1480612

Overview

Goe 6976 is an organic heterohexacyclic compound and an indolocarbazole. It has a role as an EC 2.7.11.13 (protein kinase C) inhibitor.

Names & identifiers

Preferred name
12-(2-cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo(2,3-a)pyrrolo(3,4-c)carbazole
IUPAC
3-(23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanenitrile
English name
GO 6976
Molecular formula
C24H18N4O
Molecular weight
378.43

Names & synonyms

136194-77-9Go 6976GO6976Go-6976B9IQO7JZ16DTXSID7015973112-(2-Cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazole12H-Indolo(2,3-a)pyrrolo(3,4-c)carbazole-12-propanenitrile, 5,6,7,13-tetrahydro-13-methyl-5-oxo-12H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-12-propanenitrile, 5,6,7,13-tetrahydro-13-methyl-5-oxo-12-(2-cyanoethyl)-6,7,12,13-tetrahydro-13-methyl-5-oxo-5h-indolo(2,3-a)pyrrolo(3,4-c)carbazole3-(23-methyl-14-oxo-3,13,23-triazahexacyclo(14.7.0.0^(2,10).0^(4,9).0^(11,15).0^(17,22))tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl)propanenitrile3-{23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4,6,8,11(15),17,19,21-nonaen-3-yl}propanenitrile
Show more names
G6976PD406976Aids044729Aids-044729Go6976 Go-6976Go6976 (PD40697)GO 6976 USP/EP/BPInSolution? G? 6976
RefChem:908043DTXCID6082222Goe 69763-(13-Methyl-5-oxo-6,7-dihydro-5H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-12(13H)-yl)propanenitrile5,6,7,13-Tetrahydro-13-Methyl-5-oxo-12H-indolo[2,3-a]pyrrolo[3,4-c]carbazole-12-propanenitrileCHEMBL3024493-(13-methyl-5-oxo-5,6,7,13-tetrahydro-12H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-12-yl)propanenitrile3-(23-methyl-14-oxo-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-3-yl)propanenitrile

Database identifiers

CAS
136194-77-9
PubChem CID
3501
DTXSID
DTXSID70159731
ChEMBL
CHEMBL302449
ChEBI
CHEBI:51913
UNII
B9IQO7JZ16
Nikkaji
J636.731C

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
62.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
29

Physicochemical properties

Melting point
221 °C · >221°C (dec.)
Boiling point
652.3 · 652.3±55.0 °C(Predicted)
Density
1.41 · 1.41±0.1 g/cm3(Predicted)
storage temp.
2 · Sealed in dry,2-8°C
solubility
Acetonitrile (Very Slightly, Heated), DMSO (Slightly), Methanol (Very Slightly)
form
Off-white solid

Safety & regulation

Safety data

wgk
WGK 1
hs_code
2933998090
Signal word
Warning
Symbol(GHS)
GHS07
safety_code
22-24/25
Storage Class
10 - Combustible liquids

Chemistry & industry

Pharmacology

MeSH Pharmacological ClassificationCompounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction.

Applications

UsesGo 6976 is a potent FLT3 inihibtor which is been shown to initiate cytotoxicity involving acute leukemia. Also known as a PKC inhibitor, which results into apoptosis and tumor destruction. Cancer therapeutic agent.

Suppliers50 total

陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
Aladdin Scientific[email protected]

Additional notes

DefinitionChEBI: Goe 6976 is an organic heterohexacyclic compound and an indolocarbazole. It has a role as an EC 2.7.11.13 (protein kinase C) inhibitor.

Related reactions

5 records
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Linked notes

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