Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C30H34Cl2FN5O4.C7H8O3S.H2O |
Molecular Weight | 808.743 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CC1=CC=C(C=C1)S(O)(=O)=O.CC2(C)CCC3(CC2)N[C@H]([C@H](C4=C(F)C(Cl)=NC=C4)[C@]35C(=O)NC6=C5C=CC(Cl)=C6)C(=O)N[C@@H]7CC[C@H](OC7)C(N)=O
InChI
InChIKey=WPJOGWGXMTUHPW-CIPNXXNHSA-N
InChI=1S/C30H34Cl2FN5O4.C7H8O3S.H2O/c1-28(2)8-10-29(11-9-28)30(18-5-3-15(31)13-19(18)37-27(30)41)21(17-7-12-35-24(32)22(17)33)23(38-29)26(40)36-16-4-6-20(25(34)39)42-14-16;1-6-2-4-7(5-3-6)11(8,9)10;/h3,5,7,12-13,16,20-21,23,38H,4,6,8-11,14H2,1-2H3,(H2,34,39)(H,36,40)(H,37,41);2-5H,1H3,(H,8,9,10);1H2/t16-,20+,21+,23-,30-;;/m1../s1
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C30H34Cl2FN5O4 |
Molecular Weight | 618.526 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 5 / 5 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C7H8O3S |
Molecular Weight | 172.202 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
DS-3032 (Milademetan) is an orally available, potent and selective inhibitor of the p53-MDM2 (murine double minute 2) interaction. Milademetan binds to, and prevents the binding of MDM2 protein to the transcriptional activation domain of the tumor suppressor protein p53. Milademetan is 10-fold more potent than the first-generation inhibitor nutlin-3a. By preventing this MDM2-p53 interaction, the proteasome-mediated enzymatic degradation of p53 is inhibited and the transcriptional activity of p53 is restored. This results in the restoration of p53 signaling and leads to the p53-mediated induction of tumor cell apoptosis. DS-3032 is currently being evaluated in three phase 1 clinical trials for solid and hematological malignancies, including acute myeloid leukemia (AML), acute lymphocytic leukemia (ALL), chronic myeloid leukemia (CML) in blast phase, lymphoma and myelodysplastic syndrome (MDS).
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: CHEMBL5023 Sources: http://www.freepatentsonline.com/WO2017069289A1.pdf |
Sample Use Guides
In Vivo Use Guide
Sources: https://www.ncbi.nlm.nih.gov/pubmed/29416773
Curator's Comment: Mice data
4 days of daily treatment with gavages of 50 mg/kg followed by 2 days without treatment for 30 consecutive days.
Route of Administration:
Oral
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 13:17:26 GMT 2023
by
admin
on
Sat Dec 16 13:17:26 GMT 2023
|
Record UNII |
4Y0K58UFU2
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Common Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English |
Classification Tree | Code System | Code | ||
---|---|---|---|---|
|
FDA ORPHAN DRUG |
555416
Created by
admin on Sat Dec 16 13:17:27 GMT 2023 , Edited by admin on Sat Dec 16 13:17:27 GMT 2023
|
||
|
EU-Orphan Drug |
EU/3/17/1847
Created by
admin on Sat Dec 16 13:17:27 GMT 2023 , Edited by admin on Sat Dec 16 13:17:27 GMT 2023
|
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
4Y0K58UFU2
Created by
admin on Sat Dec 16 13:17:27 GMT 2023 , Edited by admin on Sat Dec 16 13:17:27 GMT 2023
|
PRIMARY | |||
|
89051550
Created by
admin on Sat Dec 16 13:17:27 GMT 2023 , Edited by admin on Sat Dec 16 13:17:27 GMT 2023
|
PRIMARY | |||
|
100000177988
Created by
admin on Sat Dec 16 13:17:27 GMT 2023 , Edited by admin on Sat Dec 16 13:17:27 GMT 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> SALT/SOLVATE | |||
|
ANHYDROUS->SOLVATE |
|
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |