Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C23H21N5O3S.C7H8O3S |
| Molecular Weight | 619.711 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CN2C=C(C=N2)C3=CC=C(C=C3)S(=O)(=O)N4C=CC(\C=C\C(=O)NC5=CC=CC=C5N)=C4
InChI
InChIKey=IAVXAZDVNICKFJ-ICSBZGNSSA-N
InChI=1S/C23H21N5O3S.C7H8O3S/c1-27-16-19(14-25-27)18-7-9-20(10-8-18)32(30,31)28-13-12-17(15-28)6-11-23(29)26-22-5-3-2-4-21(22)24;1-6-2-4-7(5-3-6)11(8,9)10/h2-16H,24H2,1H3,(H,26,29);2-5H,1H3,(H,8,9,10)/b11-6+;
| Molecular Formula | C23H21N5O3S |
| Molecular Weight | 447.51 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| 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 |
DescriptionSources: http://www.4sc.com/news/id/943561/Curator's Comment: description was created based on several sources, including
http://www.4sc.de/wp-content/uploads/160621__4SC_CompanyPres_Citi.pdf
Sources: http://www.4sc.com/news/id/943561/
Curator's Comment: description was created based on several sources, including
http://www.4sc.de/wp-content/uploads/160621__4SC_CompanyPres_Citi.pdf
4SC-202 is an epigenetic oncology compound with a unique therapeutic profile, which was developed by biotechnology company: 4SC. 4SC-202 works as a selective inhibitor of LSD1 (lysine-specific demethylase 1) and HDAC (histone deacetylase) 1, 2 and 3. 4SC-202 also strengthens the endogenous immune response to cancer tissue. This compound demonstrated successfully completed Phase I of the clinical study, where it was proved safe and well tolerated in patients with advanced hematologic cancer. In addition, 4SC-202 shows substantial anti-tumor activity in a broad range of cancer cell lines including hepatocellular carcinoma, Urothelial Carcinoma Cell Lines and colorectal cancer.
Approval Year
Targets
| Primary Target | Pharmacology | Condition | Potency |
|---|---|---|---|
Target ID: CHEMBL2111429 |
|||
Target ID: CHEMBL1829 |
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Target ID: CHEMBL6136 |
Conditions
| Condition | Modality | Targets | Highest Phase | Product |
|---|---|---|---|---|
| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
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| Primary | Unknown Approved UseUnknown |
T1/2
| Value | Dose | Co-administered | Analyte | Population |
|---|---|---|---|---|
146 h EXPERIMENT https://pubmed.ncbi.nlm.nih.gov/26357940/ |
200 mg 2 times / day multiple, oral dose: 200 mg route of administration: Oral experiment type: MULTIPLE co-administered: |
4SC-202 plasma | Homo sapiens population: UNHEALTHY age: ADULT sex: FEMALE / MALE food status: UNKNOWN |
Sample Use Guides
oral administration dose escalation twice daily (bid) or three times a day (tid) continuous dosing for 21 days per cycle
Route of Administration:
Oral
In Vitro Use Guide
Curator's Comment: 4SC-202 treatment induced potent cytotoxic and proliferation-inhibitory activities against established hepatocellular carcinoma (HCC) cell lines (HepG2, HepB3, SMMC-7721) and patient-derived primary HCC cells. Further, adding 4SC-202 in HCC cells activated mitochondrial apoptosis pathway, which was evidenced by mitochondrial permeability transition pore (mPTP) opening, cytochrome C cytosol release and caspase-3/-9 activation. 4SC-202 induced apoptosis signal-regulating kinase 1 (ASK1) activation, causing it translocation to mitochondria and physical association with Cyp-D. This mitochondrial ASK1-Cyp-D complexation appeared required for mediating 4SC-202-induced apoptosis activation. ASK1 stable knockdown by targeted-shRNAs largely inhibited 4SC-202-induced mPTP opening, cytochrome C release, and following HCC cell apoptotic death.
Unknown
| Substance Class |
Chemical
Created
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Edited
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9PW28FR8VD
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Validated (UNII)
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