Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C23H27NO.C4H4O4 |
| Molecular Weight | 449.5387 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC3C4=C(CCC5=C3C=CC=C5)C=CC=C4
InChI
InChIKey=RGELJYBIERATBN-QKTVOLNSSA-N
InChI=1S/C23H27NO.C4H4O4/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23;5-3(6)1-2-4(7)8/h2-9,18-20,23H,10-15H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t18-,19+,20+;
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C23H27NO |
| Molecular Weight | 333.4666 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Deptropine citrate is a well-known H1-histamine receptor antagonist and muscarinic receptor antagonist. It is prescribed frequently for treatment of asthma, although there has been a sharp decrease in prescriptions since 1994. Deptropine is gradually being replaced by inhaled beta 2 adrenergic agonists and glucocorticosteroids as the preferred clinical prescription. Recently deptropine has garnered interest as a potential treatment for breast cancer. In vitro studies have shown deptropine citrate has inhibitory effects on cell viability and mammosphere formation in Breast Cancer Stem Cells (BCSCs). However, it does not seem to inhibit the self-renewal capacity of the breast cancer cell line MDA-MB-231 when it is enriched with Cancer Stem Cells.
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: P35367 Gene ID: 3269.0 Gene Symbol: HRH1 Target Organism: Homo sapiens (Human) |
|||
Target ID: CHEMBL2094109 |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
|||
| Primary | Unknown Approved UseUnknown |
Sample Use Guides
The ability to form mammospheres is correlated with the frequency of Cancer stem cells (CSCs) and progenitor cells in tumor cell lines. Thus, was analyzed the effects of different concentrations of deptropine citrate on mammosphere formation of MDA-MB-231 and 4T1-luc2 cells. In MDA-MB-231 cells, deptropine citrate reduced the size as well as the number of mammospheres significantly in a dose-dependent manner. The IC50 values of deptropine citrate for MDA-MB-231 spheres were 5 μM.
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 05:33:48 GMT 2023
by
admin
on
Sat Dec 16 05:33:48 GMT 2023
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| Record UNII |
N3Y78ZMW6Q
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| Record Status |
Validated (UNII)
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15475-43-1
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m4183
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6444677
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N3Y78ZMW6Q
Created by
admin on Sat Dec 16 05:33:48 GMT 2023 , Edited by admin on Sat Dec 16 05:33:48 GMT 2023
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PARENT -> SALT/SOLVATE |
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