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Necrostatin-21

CAT: 0804-HY-W319332Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-W319332Size:1 Each
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Description
Necrostatin-21 (Compound Nec-21) is a necroptosis inhibitor with an EC50 of 0.5 μM. Necrostatin-21 has a dual inhibitory effect on the RIP1 and JNK3 kinases. Necrostatin-21 can be used for the researches of infection, cardiovascular and neurological disease, such as Alzheimer disease [1].
CAS Number
169136-33-8
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
JNK; Necroptosis; RIP kinase
Related Pathways
Apoptosis; MAPK/ERK Pathway
Field of Research
Infection; Neurological Disease; Cardiovascular Disease
Smiles
C1=CC=C2C(=C1)C3=C(C4=NNC=C4CC3)N2
Molecular Formula
C13H11N3
Molecular Weight
209.25
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Wu Z, et al. A novel necroptosis inhibitor-necrostatin-21 and its SAR study. Bioorg Med Chem Lett. 2013 Sep 1;23 (17) :4903-6.
Shipping Conditions
Room temperature
Scientific Category
Reference compound2
Clinical Information
No Development Reported
Isoform
JNK3; RIPK1

Chemical Information

2,4,5,10-Tetrahydropyrazolo[3,4-a]carbazole
CAS Number169136-33-8
PubChem CID645436
IUPAC Name1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
Molecular FormulaC13H11N3
Molecular Weight209.25
XLogP2.3
Topological Polar Surface Area44.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity280
SMILES
C1CC2=C(C3=C1C=NN3)NC4=CC=CC=C24
InChI
InChI=1S/C13H11N3/c1-2-4-11-9(3-1)10-6-5-8-7-14-16-12(8)13(10)15-11/h1-4,7,15H,5-6H2,(H,14,16)
InChIKey
WQSHEPAFFTVLAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,4,5,10-Tetrahydropyrazolo[3,4-a]carbazole
CAS: 169136-33-8
CID: 645436
Formula: C13H11N3
MW: 209.25
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight209.25
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass209.095297364
Monoisotopic Mass209.095297364
Topological Polar Surface Area44.5 Ų
Heavy Atom Count16
Formal Charge0
Complexity280
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