Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C23H24N4O4 |
| Molecular Weight | 420.4611 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CN1C(=O)OC2=CC=C(C=C12)C3=CC=C(C[C@H](NC(=O)[C@@H]4CNCCCO4)C#N)C=C3
InChI
InChIKey=AEXFXNFMSAAELR-RXVVDRJESA-N
InChI=1S/C23H24N4O4/c1-27-19-12-17(7-8-20(19)31-23(27)29)16-5-3-15(4-6-16)11-18(13-24)26-22(28)21-14-25-9-2-10-30-21/h3-8,12,18,21,25H,2,9-11,14H2,1H3,(H,26,28)/t18-,21-/m0/s1
| Molecular Formula | C23H24N4O4 |
| Molecular Weight | 420.4611 |
| 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
Tue Apr 01 20:31:51 GMT 2025
by
admin
on
Tue Apr 01 20:31:51 GMT 2025
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| Record UNII |
25CG88L0BB
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| Record Status |
Validated (UNII)
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| Record Version |
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25CG88L0BB
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11097
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1802148-05-5
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300000010203
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JK-48
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C171778
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| Related Record | Type | Details | ||
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SALT/SOLVATE -> PARENT |
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TARGET -> INHIBITOR |
Information). The interaction could be described with a simple 1:1 interaction model resulting in an on-rate (kon) and an ;-rate (koff) of 4.0 ? 0−3 ;1, giving a pKd value of 8.6. The residence time at the DPP1 enzyme, by half-life, was 3 min.
INHIBITOR
Ki
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TARGET -> INHIBITOR |
in Vitro Using Differentiating Human Primary Bone Marrow-Derived CD34+ Neutrophil Progenitor Cells
INHIBITOR
IC50
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
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