Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C40H36N8O5 |
| Molecular Weight | 708.7644 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@]12CN(CC3=C4C=CC=NC4=CC=C3)C(=O)[C@H](CC5=CC=C(O)C=C5)N1C(=O)CN(CC6=CC(=NO6)C7=NC=CC=C7)N2C(=O)NCC8=CC=CC=C8
InChI
InChIKey=RXZGEZOZWDKTQS-BCRBLDSWSA-N
InChI=1S/C40H36N8O5/c49-30-16-14-27(15-17-30)20-36-39(51)45(23-29-10-6-13-33-32(29)11-7-19-41-33)25-37-47(36)38(50)26-46(48(37)40(52)43-22-28-8-2-1-3-9-28)24-31-21-35(44-53-31)34-12-4-5-18-42-34/h1-19,21,36-37,49H,20,22-26H2,(H,43,52)/t36-,37-/m0/s1
| Molecular Formula | C40H36N8O5 |
| Molecular Weight | 708.7644 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:32:48 UTC 2023
by
admin
on
Sat Dec 16 19:32:48 UTC 2023
|
| Record UNII |
S8F6TWL476
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
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Systematic Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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159929413
Created by
admin on Sat Dec 16 19:32:48 UTC 2023 , Edited by admin on Sat Dec 16 19:32:48 UTC 2023
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PRIMARY | |||
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2710292-55-8
Created by
admin on Sat Dec 16 19:32:48 UTC 2023 , Edited by admin on Sat Dec 16 19:32:48 UTC 2023
|
PRIMARY | |||
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S8F6TWL476
Created by
admin on Sat Dec 16 19:32:48 UTC 2023 , Edited by admin on Sat Dec 16 19:32:48 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
TARGET -> INHIBITOR |
Inhibits binding of CREB to Catenin beta-1 and CREB binding protein (CBP)/ -catenin signaling
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SALT/SOLVATE -> PARENT |
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![Structure of (6S,9aS)-N-benzyl-6-(4-hydroxybenzyl)-4,7-dioxo-2-((3-(pyridin-2-yl)isoxazol-5-yl)methyl)-8-(quinolin-5-ylmethyl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide methane sulfonic acid](/img/c75168f7-1606-430f-b331-3483886c2d38.svg "Structure of (6S,9aS)-N-benzyl-6-(4-hydroxybenzyl)-4,7-dioxo-2-((3-(pyridin-2-yl)isoxazol-5-yl)methyl)-8-(quinolin-5-ylmethyl)hexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide methane sulfonic acid")