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TGFβ1-IN-3

CAT: 0804-HY-151955-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-151955-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
TGFβ1-IN-3 is a diarylacylhydrazones derivative that effectively suppresses the activation and proliferation of fibroblasts. TGFβ1-IN-3 can be used for idiopathic pulmonary fibrosis (IPF) research[1].
CAS Number
2883813-58-7
UNSPSC
12352005
Target
TGF-β Receptor
Type
Reference compound
Related Pathways
TGF-beta/Smad
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/tgfβ1-in-3.html
Solubility
10 mM in DMSO
Smiles
O=C(C1=CC=C(C=C1)OCCCCCCN2CCCCC2)N/N=C/C3=CC=C(O3)[N+]([O-])=O
Molecular Formula
C23H30N4O5
Molecular Weight
442.51
References & Citations
[1]Xingping Su, et al. Design, synthesis and biological evaluation of novel diarylacylhydrazones derivatives for the efficient treatment of idiopathic pulmonary fibrosis. Eur J Med Chem. 2023 Jan 5;245 (Pt 2) :114918.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

Tgf|A1-IN-3
CAS Number2883813-58-7
PubChem CID166177005
IUPAC NameN-[(E)-(5-nitrofuran-2-yl)methylideneamino]-4-(6-piperidin-1-ylhexoxy)benzamide
Molecular FormulaC23H30N4O5
Molecular Weight442.5
XLogP4.7
Topological Polar Surface Area113
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Heavy Atom Count32
Formal Charge0
Complexity598
SMILES
C1CCN(CC1)CCCCCCOC2=CC=C(C=C2)C(=O)N/N=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C23H30N4O5/c28-23(25-24-18-21-12-13-22(32-21)27(29)30)19-8-10-20(11-9-19)31-17-7-2-1-4-14-26-15-5-3-6-16-26/h8-13,18H,1-7,14-17H2,(H,25,28)/b24-18+
InChIKey
BIJZSBWAQJBCDA-HKOYGPOVSA-N
Chemical Structure
2D Structure
2D structure of Tgf|A1-IN-3
CAS: 2883813-58-7
CID: 166177005
Formula: C23H30N4O5
MW: 442.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight442.5
XLogP34.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count11
Exact Mass442.22162007
Monoisotopic Mass442.22162007
Topological Polar Surface Area113 Ų
Heavy Atom Count32
Formal Charge0
Complexity598
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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