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> Main
CHEBI:77556 - SCH51344
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ChEBI Name
SCH51344
ChEBI ID
CHEBI:77556
Definition
A pyrazoloquinoline that is 6-methoxy-3-methyl-1
H
-pyrazolo[3,4-
b
]quinoline bearing an additional 2-[(2-hydroxyethoxy)ethyl]amino substituent at position 4
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Pablo Porras Millan
Supplier Information
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Formula
C16H20N4O3
Net Charge
0
Average Mass
316.35500
Monoisotopic Mass
316.15354
InChI
InChI=1S/C16H20N4O3/c1-
10-
14-
15(17-
5-
7-
23-
8-
6-
21)
12-
9-
11(22-
2)
3-
4-
13(12)
18-
16(14)
20-
19-
10/h3-
4,9,21H,5-
8H2,1-
2H3,(H2,17,18,19,20)
InChIKey
YWEGXZZAORIRQR-UHFFFAOYSA-N
SMILES
COc1ccc2nc3[nH]nc(C)c3c(NCCOCCO)c2c1
Roles Classification
Chemical Role
(s):
Bronsted base
A molecular entity capable of accepting a hydron from a donor (Br
o
nsted 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
SCH51344 (
CHEBI:77556
)
has role
antineoplastic agent (
CHEBI:35610
)
SCH51344 (
CHEBI:77556
)
is a
aromatic amine (
CHEBI:33860
)
SCH51344 (
CHEBI:77556
)
is a
aromatic ether (
CHEBI:35618
)
SCH51344 (
CHEBI:77556
)
is a
primary alcohol (
CHEBI:15734
)
SCH51344 (
CHEBI:77556
)
is a
pyrazoloquinoline (
CHEBI:74147
)
SCH51344 (
CHEBI:77556
)
is a
secondary amino compound (
CHEBI:50995
)
IUPAC Name
2-{2-[(6-methoxy-3-methyl-1
H
-pyrazolo[3,4-
b
]quinolin-4-yl)amino]ethoxy}ethanol
Registry Number
Type
Source
171927-40-5
CAS Registry Number
SUBMITTER
Citations
Types
Sources
10667224
PubMed citation
Europe PMC
7585559
PubMed citation
Europe PMC
9309148
PubMed citation
Europe PMC
Last Modified
03 March 2014