Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C62H74ClFN8O7S |
| Molecular Weight | 1129.817 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](CC(=O)N3CCC(CC3)N4CCC(CC4)C#CC5=CC=C(C=C5)C(=O)N[C@H]6C(C)(C)[C@H](OC7=CC(Cl)=C(C=C7)C#N)C6(C)C)NC(=O)[C@@H]8C[C@@H](O)CN8C(=O)[C@@H](NC(=O)C9(F)CC9)C(C)(C)C
InChI
InChIKey=CWGVEMFBQJUWLU-RXFAPWBBSA-N
InChI=1S/C62H74ClFN8O7S/c1-37-51(80-36-66-37)41-17-15-40(16-18-41)48(67-54(76)49-31-45(73)35-72(49)55(77)52(59(2,3)4)68-58(78)62(64)25-26-62)33-50(74)71-29-23-44(24-30-71)70-27-21-39(22-28-70)10-9-38-11-13-42(14-12-38)53(75)69-56-60(5,6)57(61(56,7)8)79-46-20-19-43(34-65)47(63)32-46/h11-20,32,36,39,44-45,48-49,52,56-57,73H,21-31,33,35H2,1-8H3,(H,67,76)(H,68,78)(H,69,75)/t45-,48+,49+,52-,56-,57-/m1/s1
| Molecular Formula | C62H74ClFN8O7S |
| Molecular Weight | 1129.817 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:31:11 GMT 2023
by
admin
on
Sat Dec 16 19:31:11 GMT 2023
|
| Record UNII |
6V4BB6JQ6C
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Code | English |
| Code System | Code | Type | Description | ||
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2316837-10-0
Created by
admin on Sat Dec 16 19:31:12 GMT 2023 , Edited by admin on Sat Dec 16 19:31:12 GMT 2023
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PRIMARY | |||
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6V4BB6JQ6C
Created by
admin on Sat Dec 16 19:31:12 GMT 2023 , Edited by admin on Sat Dec 16 19:31:12 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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TARGET->DEGRADER, SELECTIVE |
ARD-69 is a potent proteolysis-targeting chimera (PROTAC) degrader of the androgen receptor (AR) that was designed as a proof-of-concept lead to evaluate the potential of PROTAC technology as a novel treatment mechanism for AR-positive, castration-resistant prostate cancer [2]. It contains an AR antagonist (reported in [1]) that binds the AR, joined by a small linker molecule to a second ligand (in this case a VHL ligand) that engages the E3 ubiquitin ligase system via Cullin-2. This chimeric molecular structure targets AR protein for ubiquitination-dependent proteolysis.
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