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NUCC-555

CAT: 0804-HY-122179Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-122179Size:1 Each
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Description
NUCC-555 is an activin antagonist. NUCC-555 interacts with Trp25, Trp28, Phe55, Tyr93, Lys103, and Asn107 in the Activin A binding pocket. NUCC-555 blocks Activin A-mediated hepatic stellate cells (HSCs) activation. NUCC-555 promotes liver regeneration and halts fibrosis progression in chronic liver disease models. NUCC-555 inhibits Activin A-mediated ovarian cell proliferation. NUCC-555 decreases FSH levels in ovariectomized mice[1][2].
CAS Number
1060469-90-0
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
TGF-β Receptor
Type
Reference compound
Related Pathways
TGF-beta/Smad
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/nucc-555.html
Smiles
O=C(NCC1=CC=CC=C1)C2=CC(NC(COC)=O)=CC3=C2N(C(C4=CC=CN=C4)=N3)CC
Molecular Formula
C25H25N5O3
Molecular Weight
443.50
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Zhu J, et al. Virtual High-Throughput Screening To Identify Novel Activin Antagonists. J Med Chem. 2015 Jul 23;58 (14) :5637-48. |[2]Mekala S, et al. Antagonizing Activin A/p15INK4b Signaling as Therapeutic Strategy for Liver Disease. Cells. 2024 Apr 8;13 (7) :649.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

N-benzyl-3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-ylbenzimidazole-4-carboxamide
CAS Number1060469-90-0
PubChem CID42407646
IUPAC NameN-benzyl-3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-ylbenzimidazole-4-carboxamide
Molecular FormulaC25H25N5O3
Molecular Weight443.5
XLogP2.2
Topological Polar Surface Area98.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Heavy Atom Count33
Formal Charge0
Complexity656
SMILES
CCN1C2=C(C=C(C=C2N=C1C3=CN=CC=C3)NC(=O)COC)C(=O)NCC4=CC=CC=C4
InChI
InChI=1S/C25H25N5O3/c1-3-30-23-20(25(32)27-14-17-8-5-4-6-9-17)12-19(28-22(31)16-33-2)13-21(23)29-24(30)18-10-7-11-26-15-18/h4-13,15H,3,14,16H2,1-2H3,(H,27,32)(H,28,31)
InChIKey
SIXRWSUKYNSLRT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-benzyl-3-ethyl-6-[(2-methoxyacetyl)amino]-2-pyridin-3-ylbenzimidazole-4-carboxamide
CAS: 1060469-90-0
CID: 42407646
Formula: C25H25N5O3
MW: 443.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight443.5
XLogP32.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count8
Exact Mass443.19573968
Monoisotopic Mass443.19573968
Topological Polar Surface Area98.1 Ų
Heavy Atom Count33
Formal Charge0
Complexity656
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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