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Details

Stereochemistry ACHIRAL
Molecular Formula C23H21N5O3S
Molecular Weight 447.51
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of DOMATINOSTAT

SMILES

CN1C=C(C=N1)C2=CC=C(C=C2)S(=O)(=O)N3C=CC(\C=C\C(=O)NC4=CC=CC=C4N)=C3

InChI

InChIKey=PRXXYMVLYKJITB-IZZDOVSWSA-N
InChI=1S/C23H21N5O3S/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/h2-16H,24H2,1H3,(H,26,29)/b11-6+

HIDE SMILES / InChI

Molecular Formula C23H21N5O3S
Molecular Weight 447.51
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Description

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.

Originator

Approval Year

Targets

Primary TargetPharmacologyConditionPotency

Conditions

ConditionModalityTargetsHighest PhaseProduct
Primary
Unknown
Primary
Unknown
Primary
Unknown
Primary
Unknown

T1/2

ValueDoseCo-administeredAnalytePopulation
146 h
200 mg 2 times / day multiple, oral
4SC-202 plasma
Homo sapiens

PubMed

Sample Use Guides

In Vivo Use Guide
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
Unknown
Substance Class Chemical
Record UNII
264ARM7UXX
Record Status Validated (UNII)
Record Version