Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H28N4O6 |
| Molecular Weight | 444.4809 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
C[N+](C)([O-])CCNC1=CC=C(NCC[N+](C)(C)[O-])C2=C1C(=O)C3=C(O)C=CC(O)=C3C2=O
InChI
InChIKey=YZBAXVICWUUHGG-UHFFFAOYSA-N
InChI=1S/C22H28N4O6/c1-25(2,31)11-9-23-13-5-6-14(24-10-12-26(3,4)32)18-17(13)21(29)19-15(27)7-8-16(28)20(19)22(18)30/h5-8,23-24,27-28H,9-12H2,1-4H3
| Molecular Formula | C22H28N4O6 |
| Molecular Weight | 444.4809 |
| Charge | 0 |
| Count |
|
| Stereochemistry | MIXED |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:00:08 UTC 2023
by
admin
on
Fri Dec 15 16:00:08 UTC 2023
|
| Record UNII |
W5H7E45YT3
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
Download
| Name | Type | Language | ||
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Official Name | English | ||
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Common Name | English | ||
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Systematic Name | English | ||
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Code | English | ||
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Common Name | English | ||
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Code | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C253
Created by
admin on Fri Dec 15 16:00:08 UTC 2023 , Edited by admin on Fri Dec 15 16:00:08 UTC 2023
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| Code System | Code | Type | Description | ||
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136470-65-0
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8400
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9955116
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W5H7E45YT3
Created by
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DTXSID90869860
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admin on Fri Dec 15 16:00:08 UTC 2023 , Edited by admin on Fri Dec 15 16:00:08 UTC 2023
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100000177189
Created by
admin on Fri Dec 15 16:00:08 UTC 2023 , Edited by admin on Fri Dec 15 16:00:08 UTC 2023
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C79528
Created by
admin on Fri Dec 15 16:00:08 UTC 2023 , Edited by admin on Fri Dec 15 16:00:08 UTC 2023
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DB04975
Created by
admin on Fri Dec 15 16:00:08 UTC 2023 , Edited by admin on Fri Dec 15 16:00:08 UTC 2023
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CHEMBL117391
Created by
admin on Fri Dec 15 16:00:08 UTC 2023 , Edited by admin on Fri Dec 15 16:00:08 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
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METABOLIC ENZYME -> SUBSTRATE |
CYP2S1 is expressed in the epithelial cells of trachea, small intestine, stomach, spleen, lung, and colon, but is found at much lower levels in liver, kidney, and most other tissues. The protein is apparently overexpressed in psoriatic skin (Karlgren et al., 2005) and hypoxic tumors.
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METABOLIC ENZYME -> SUBSTRATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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METABOLITE -> PARENT |
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METABOLITE ACTIVE -> PRODRUG |
Reduction of AQ4N to the mono N-oxide intermediate AQ4M [ 1-{[2-(dimethylamino-N-oxide)ethyl]amino}-4-{[2-(dimethylamino) ethyl]amino}-5,8-dihydroxyanthracene-9,10-dione] and finally to AQ4 provides a mechanism for selectively generating the active topoisomerase inhibitor within hypoxic cancer cells.
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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