Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C43H42N4O6 |
Molecular Weight | 710.8168 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC1=CC=C(C=C1)N(C(=O)C2=C3CCCCN3C(=C2)C4=CC5=C(OCO5)C=C4C(=O)N6CC7=C(C[C@H]6CN8CCOCC8)C=CC=C7)C9=CC=CC=C9
InChI
InChIKey=VYXJULKGMXJVGI-XIFFEERXSA-N
InChI=1S/C43H42N4O6/c48-34-15-13-32(14-16-34)47(31-10-2-1-3-11-31)43(50)37-23-39(45-17-7-6-12-38(37)45)35-24-40-41(53-28-52-40)25-36(35)42(49)46-26-30-9-5-4-8-29(30)22-33(46)27-44-18-20-51-21-19-44/h1-5,8-11,13-16,23-25,33,48H,6-7,12,17-22,26-28H2/t33-/m0/s1
Molecular Formula | C43H42N4O6 |
Molecular Weight | 710.8168 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:51:24 GMT 2023
by
admin
on
Sat Dec 16 08:51:24 GMT 2023
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Record UNII |
W93257I68I
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Record Status |
Validated (UNII)
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Record Version |
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-
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C125603
Created by
admin on Sat Dec 16 08:51:24 GMT 2023 , Edited by admin on Sat Dec 16 08:51:24 GMT 2023
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300000041327
Created by
admin on Sat Dec 16 08:51:24 GMT 2023 , Edited by admin on Sat Dec 16 08:51:24 GMT 2023
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71654876
Created by
admin on Sat Dec 16 08:51:24 GMT 2023 , Edited by admin on Sat Dec 16 08:51:24 GMT 2023
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W93257I68I
Created by
admin on Sat Dec 16 08:51:24 GMT 2023 , Edited by admin on Sat Dec 16 08:51:24 GMT 2023
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1448584-12-0
Created by
admin on Sat Dec 16 08:51:24 GMT 2023 , Edited by admin on Sat Dec 16 08:51:24 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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TARGET -> INHIBITOR |
S55746 occupies the hydrophobic groove of BCL-2. Its selectivity profile demonstrates no significant binding to MCL-1, BFL-1 (BCL2A1/A1) and poor affinity for BCL-XL. Accordingly, S55746 has no cytotoxic activity on BCL-XL-dependent cells, such as platelets.
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ACTIVE MOIETY |
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