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NFAT Inhibitor-3

CAT: 0804-HY-132243Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-132243Size:1 Each
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Description
NFAT Inhibitor-3 (Compound 10) is a factor nuclear factor of activated T cells (NFAT) inhibitor. NFAT Inhibitor-3 inhibits IL-2 production. NFAT Inhibitor-3 binds in a sequence-selective manner directly to DNA. NFAT Inhibitor-3 can be used for the research of transcription factor dysregulation[1].
CAS Number
841210-82-0
UNSPSC
12352005
Target
Nuclear Factor of activated T Cells (NFAT)
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/nfat-inhibitor-3.html
Smiles
O=C(C)NC1=CC=CC(NC(CSC2=CC=C(C3=NC4=CC=CC=C4N3)C=N2)=O)=C1
Molecular Formula
C22H19N5O2S
Molecular Weight
417.48
References & Citations
[1]Mognol GP, et al. Targeting the NFAT:AP-1 transcriptional complex on DNA with a small-molecule inhibitor. Proc Natl Acad Sci U S A. 2019 May 14;116 (20) :9959-9968.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-(3-acetamidophenyl)-2-[5-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylacetamide

N-(3-acetamidophenyl)-2-[5-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylacetamide has been reported in Chrysothamnus viscidiflorus and Dracaena angustifolia with data available.

CAS Number841210-82-0
PubChem CID1432799
IUPAC NameN-(3-acetamidophenyl)-2-[[5-(1H-benzimidazol-2-yl)-2-pyridinyl]sulfanyl]acetamide
Molecular FormulaC22H19N5O2S
Molecular Weight417.5
XLogP3
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count30
Formal Charge0
Complexity606
SMILES
CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NC=C(C=C2)C3=NC4=CC=CC=C4N3
InChI
InChI=1S/C22H19N5O2S/c1-14(28)24-16-5-4-6-17(11-16)25-20(29)13-30-21-10-9-15(12-23-21)22-26-18-7-2-3-8-19(18)27-22/h2-12H,13H2,1H3,(H,24,28)(H,25,29)(H,26,27)
InChIKey
PULDLPSVEIRFNT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(3-acetamidophenyl)-2-[5-(1H-benzimidazol-2-yl)pyridin-2-yl]sulfanylacetamide
CAS: 841210-82-0
CID: 1432799
Formula: C22H19N5O2S
MW: 417.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.5
XLogP33
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass417.12594604
Monoisotopic Mass417.12594604
Topological Polar Surface Area125 Ų
Heavy Atom Count30
Formal Charge0
Complexity606
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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