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SCP1-IN-1

CAT: 0804-HY-142682-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-142682-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SCP1-IN-1 (compound SH T-62) is a potent and selective covalent inhibitor against SCP1. SCP1-IN-1 promotes REST degradation and reduces transcriptional activity. A high level of REST protein drives the tumor growth in some glioblastoma cells. SCP1-IN-1 has the potential for the research of glioblastoma whose growth is driven by REST transcription activity[1].
CAS Number
2764615-55-4
UNSPSC
12352005
Target
Phosphatase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/scp1-in-1.html
Purity
98.42
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=S1(C2=CC=CC=C2C=C1C(NCCOCCNS(C3=CC=C(C=C3)OC(F)(F)F)(=O)=O)=O)=O
Molecular Formula
C20H19F3N2O7S2
Molecular Weight
520.50
References & Citations
[1]Medellin B, et al. Targeted Covalent Inhibition of Small CTD Phosphatase 1 to Promote the Degradation of the REST Transcription Factor in Human Cells. J Med Chem. 2022;65 (1) :507-519.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Scp1-IN-1
CAS Number2764615-55-4
PubChem CID163196270
IUPAC Name1,1-dioxo-N-[2-[2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]ethoxy]ethyl]-1-benzothiophene-2-carboxamide
Molecular FormulaC20H19F3N2O7S2
Molecular Weight520.5
XLogP3
Topological Polar Surface Area145
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Heavy Atom Count34
Formal Charge0
Complexity948
SMILES
C1=CC=C2C(=C1)C=C(S2(=O)=O)C(=O)NCCOCCNS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F
InChI
InChI=1S/C20H19F3N2O7S2/c21-20(22,23)32-15-5-7-16(8-6-15)34(29,30)25-10-12-31-11-9-24-19(26)18-13-14-3-1-2-4-17(14)33(18,27)28/h1-8,13,25H,9-12H2,(H,24,26)
InChIKey
LOPHIWMZIIGDGK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Scp1-IN-1
CAS: 2764615-55-4
CID: 163196270
Formula: C20H19F3N2O7S2
MW: 520.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.5
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count10
Exact Mass520.05857778
Monoisotopic Mass520.05857778
Topological Polar Surface Area145 Ų
Heavy Atom Count34
Formal Charge0
Complexity948
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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