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STT3A/B-IN-1

CAT: 0804-HY-169003-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-169003-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
STT3A/B-IN-1 is an orally active STT3A/B inhibitor with antiviral activity. STT3A/B-IN-1 upregulates DERL3 gene expression levels. STT3A/B-IN-1 is promising for research of viral diseases, including cancer and neurodegenerative disorders[1].
CAS Number
3067184-99-7
UNSPSC
12352005
Target
Virus Protease
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Cancer; Infection; Neurological Disease
Assay Protocol
https://www.medchemexpress.com/stt3a-b-in-1.html
Purity
99.15
Smiles
C[S@@](=N)(C1=CC=C(C(C2=CC3=C(C=CC=C3)N2)=C1)N4CC[C@@H](C4)O)=O
Molecular Formula
C19H21N3O2S
Molecular Weight
355.45
References & Citations
[1]Pero JE, et al. Discovery of Potent STT3A/B Inhibitors and Assessment of Their Multipathogen Antiviral Potential and Safety. J Med Chem. 2024 Aug 22;67 (16) :14586-14608.
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

(S)-1-[2-(1H-Indol-2-yl)-4-[(S)-S-methylsulfonimidoyl]phenyl]pyrrolidin-3-ol
CAS Number3067184-99-7
PubChem CID177643534
IUPAC Name(3S)-1-[2-(1H-indol-2-yl)-4-(methylsulfonimidoyl)phenyl]pyrrolidin-3-ol
Molecular FormulaC19H21N3O2S
Molecular Weight355.5
XLogP3.9
Topological Polar Surface Area88.6
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity591
SMILES
C[S@](=N)(=O)C1=CC(=C(C=C1)N2CC[C@@H](C2)O)C3=CC4=CC=CC=C4N3
InChI
InChI=1S/C19H21N3O2S/c1-25(20,24)15-6-7-19(22-9-8-14(23)12-22)16(11-15)18-10-13-4-2-3-5-17(13)21-18/h2-7,10-11,14,20-21,23H,8-9,12H2,1H3/t14-,25-/m0/s1
InChIKey
DXZQACFEAZEKNY-SXBQZSJRSA-N
Chemical Structure
2D Structure
2D structure of (S)-1-[2-(1H-Indol-2-yl)-4-[(S)-S-methylsulfonimidoyl]phenyl]pyrrolidin-3-ol
CAS: 3067184-99-7
CID: 177643534
Formula: C19H21N3O2S
MW: 355.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.5
XLogP33.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass355.13544809
Monoisotopic Mass355.13544809
Topological Polar Surface Area88.6 Ų
Heavy Atom Count25
Formal Charge0
Complexity591
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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