CC-401

Base Information

Chemical Name:CC-401
CAS No.:395104-30-0
Molecular Formula:C22H24N6O
Molecular Weight:388.472
Hs Code.:2933399990
UNII:NOE38VQA1W
DSSTox Substance ID:DTXSID40192650
Wikidata:Q27163284
NCI Thesaurus Code:C49095
Metabolomics Workbench ID:153420
ChEMBL ID:CHEMBL1614713
Mol file:395104-30-0.mol

Synonyms:CC 401;CC-401;CC401 cpd

Suppliers and Price of CC-401

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
CC-401
5mg
$ 370.00

Matrix Scientific
3-(3-(2-(Piperidin-1-yl)ethoxy)phenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole 97%
5g
$ 9900.00

Crysdot
CC-401 98+%
50mg
$ 521.00

Crysdot
3-(3-(2-(Piperidin-1-yl)ethoxy)phenyl)-5-(1H-1,2,4-triazol-3-yl)-1H-indazole 97%
1g
$ 474.00

Crysdot
CC-401 98+%
10mg
$ 176.00

Crysdot
CC-401 98+%
5mg
$ 98.00

Chemenu
3-(3-(2-(Piperidin-1-yl)ethoxy)phenyl)-5-(1H-1,2,4-triazol-5-yl)-1H-indazole 98%
50mg
$ 487.00

Cayman Chemical
CC-401 ≥98%
1mg
$ 93.00

Cayman Chemical
CC-401 ≥98%
5mg
$ 415.00

Cayman Chemical
CC-401 ≥98%
10mg
$ 735.00

Total 17 raw suppliers

Chemical Property of CC-401

Chemical Property:

Boiling Point:681.5±65.0 °C(Predicted)
PKA:9.44±0.20(Predicted)
PSA：82.72000
Density:1.275
LogP:3.81760
Solubility.:≥19.4 mg/mL in DMSO; ≥2.32 mg/mL in EtOH with ultrasonic; ≥8.7 mg/mL in H2O
XLogP3:3.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:388.20115941
Heavy Atom Count:29
Complexity:516

Purity/Quality:

99%, ^*data from raw suppliers

CC-401 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCN(CC1)CCOC2=CC=CC(=C2)C3=NNC4=C3C=C(C=C4)C5=NC=NN5
Recent ClinicalTrials:Study to Determine the Optimal Biologic Dose of CC-401 in Subjects With High-Risk Myeloid Leukemia
Description c-Jun N-terminal kinases (JNKs) are MAP kinase family members that become highly activated after cells are exposed to stress conditions and are poorly activated by exposure to growth factors or mitogens. CC-401 is a potent inhibitor of all three JNK isoforms (Ki values range from 25 to 50 nM). It has at least 40-fold selectivity for JNK compared with other related kinases. CC-401 is bioavailable when delivered by gavage, blocking JNK signaling and renal fibrosis in a rat obstructed kidney model. It also has been shown to decrease hepatic necrosis and apoptosis after orthotopic liver transplantation and prevent acute renal failure following ischemia/reperfusion associated with renal transplantation in rats.

Technology Process of CC-401

There total 3 articles about CC-401 which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

: 395106-69-1
3-(3-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-indazole-5-carboxamide

: 4637-24-5
N,N-dimethyl-formamide dimethyl acetal

: 395104-30-0
3-[3-(2-piperidin-1-yl-ethoxy)-phenyl]-5-(1H-[1,2,4]triazol-3-yl)-1H-indazole

Guidance literature:: 3-(3-(2-(piperidin-1-yl)ethoxy)phenyl)-1H-indazole-5-carboxamide; N,N-dimethyl-formamide dimethyl acetal; In tetrahydrofuran; Industry scale;

With acetic acid; hydrazine; In tetrahydrofuran; at 25 - 67 ℃; Product distribution / selectivity; Industry scale;

Reference yield: 48.0%

: 3040-44-6
1-piperidinoethanol

: 3-{1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2.4-triazol-3-yl)]-1H-indazol-3-yl}phenol

: 395104-30-0
3-[3-(2-piperidin-1-yl-ethoxy)-phenyl]-5-(1H-[1,2,4]triazol-3-yl)-1H-indazole

Guidance literature:: With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 20 ℃; for 23h;

Reference yield: 48.0%

: 3040-44-6
1-piperidinoethanol

: 395104-16-2
3-{1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenol

: 395104-30-0
3-[3-(2-piperidin-1-yl-ethoxy)-phenyl]-5-(1H-[1,2,4]triazol-3-yl)-1H-indazole

Guidance literature:: 1-piperidinoethanol; 3-{1-perhydro-2H-pyran-2-yl-5-[1-(triphenylmethyl)(1,2,4-triazol-3-yl)]-1H-indazol-3-yl}phenol; With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 20 ℃; for 23h;

With hydrogenchloride; water; In tetrahydrofuran; at 20 ℃; for 4h;

With sodium hydroxide; In tetrahydrofuran; water; pH=11; Product distribution / selectivity;