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CC-401

CAT: 0804-HY-13022A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-13022A-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CC-401 is a potent inhibitor of all three forms of JNK with Ki of 25 to 50 nM.
CAS Number
395104-30-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
JNK
Type
Reference compound
Related Pathways
MAPK/ERK Pathway
Applications
Cancer-Kinase/protease
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/cc-401.html
Purity
99.63
Solubility
DMSO : 40 mg/mL (ultrasonic)
Smiles
C1(C2=CC=CC(OCCN3CCCCC3)=C2)=NNC4=C1C=C(C=C4)C5=NC=NN5
Molecular Formula
C22H24N6O
Molecular Weight
388.47
Precautions
H302, H315, H319, H335
References & Citations
[1]Ma FY, et al. A pathogenic role for c-Jun amino-terminal kinase signaling in renal fibrosis and tubular cell apoptosis. J Am Soc Nephrol. 2007 Feb;18 (2) :472-84.|[2]Vasilevskaya IA, et al. Inhibition of JNK Sensitizes Hypoxic Colon Cancer Cells to DNA-Damaging Agents. Clin Cancer Res. 2015 Sep 15;21 (18) :4143-52.|[3]Ma FY, et al. Blockade of the c-Jun amino terminal kinase prevents crescent formation and halts established anti-GBM glomerulonephritis in the rat. Lab Invest. 2009 Apr;89 (4) :470-84.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Reference compound1
Clinical Information
Phase 2
Isoform
JNK
Citation 01
Cell Syst. 2018 Apr 25;6 (4) :424-443.e7.|J Med Chem. 2023 Mar 23;66 (6) :4106-4130.|Mol Cancer Res. 2016 Aug;14 (8) :753-63.|Harvard Medical School LINCS LIBRARY|Int Immunopharmacol. 2024 Dec 9:145:113781.|Science. 2017 Dec 1;358 (6367) :eaan4368.

Chemical Information

Cc-401

3-[3-[2-(1-piperidinyl)ethoxy]phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole is a member of pyrazoles and a ring assembly.

CAS Number395104-30-0
PubChem CID10430360
IUPAC Name3-[3-(2-piperidin-1-ylethoxy)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole
Molecular FormulaC22H24N6O
Molecular Weight388.5
XLogP3.8
Topological Polar Surface Area82.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity516
SMILES
C1CCN(CC1)CCOC2=CC=CC(=C2)C3=NNC4=C3C=C(C=C4)C5=NC=NN5
InChI
InChI=1S/C22H24N6O/c1-2-9-28(10-3-1)11-12-29-18-6-4-5-16(13-18)21-19-14-17(22-23-15-24-27-22)7-8-20(19)25-26-21/h4-8,13-15H,1-3,9-12H2,(H,25,26)(H,23,24,27)
InChIKey
XDJCLCLBSGGNKS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cc-401
CAS: 395104-30-0
CID: 10430360
Formula: C22H24N6O
MW: 388.5
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight388.5
XLogP33.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass388.20115941
Monoisotopic Mass388.20115941
Topological Polar Surface Area82.7 Ų
Heavy Atom Count29
Formal Charge0
Complexity516
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