CHEBI:82669 - AS-I-145

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ChEBI Name AS-I-145
ChEBI ID CHEBI:82669
Definition An indolecarboxamide obtained by the formal condensation of the carboxy group of 5,6,7-trimethoxyindole-2-carboxylic acid with the 2-amino group of 1-(2-chloroethyl)-2,4-diaminonaphthalene.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C24H24ClN3O4
Net Charge 0
Average Mass 453.91800
Monoisotopic Mass 453.14553
InChI InChI=1S/C24H24ClN3O4/c1-30-20-11-13-10-19(27-21(13)23(32-3)22(20)31-2)24(29)28-18-12-17(26)15-7-5-4-6-14(15)16(18)8-9-25/h4-7,10-12,27H,8-9,26H2,1-3H3,(H,28,29)
InChIKey MNFPZBOQEWMBOK-UHFFFAOYSA-N
SMILES COc1cc2cc([nH]c2c(OC)c1OC)C(=O)Nc1cc(N)c2ccccc2c1CCCl
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing AS-I-145 (CHEBI:82669) has role antineoplastic agent (CHEBI:35610)
AS-I-145 (CHEBI:82669) is a aromatic amine (CHEBI:33860)
AS-I-145 (CHEBI:82669) is a aromatic ether (CHEBI:35618)
AS-I-145 (CHEBI:82669) is a indolecarboxamide (CHEBI:46921)
AS-I-145 (CHEBI:82669) is a organochlorine compound (CHEBI:36683)
IUPAC Name
N-[4-amino-1-(2-chloroethyl)-2-naphthyl]-5,6,7-trimethoxy-1H-indole-2-carboxamide
Registry Number Type Source
10125806 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
17938264 PubMed citation Europe PMC
22367116 PubMed citation Europe PMC
Last Modified
08 August 2014