Sofinicline

Base Information

Chemical Name:Sofinicline
CAS No.:799279-80-4
Molecular Formula:C₁₀H₁₁Cl₂N₃
Molecular Weight:244.123
Hs Code.:
UNII:SQC232V4YY
DSSTox Substance ID:DTXSID901000842
Wikidata:Q27289342
NCI Thesaurus Code:C80527
Metabolomics Workbench ID:153500
ChEMBL ID:CHEMBL238465
Mol file:799279-80-4.mol

Synonyms:3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo(3.2.0)heptane;ABT-894;sofinicline

Suppliers and Price of Sofinicline

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

ChemScene
Sofiniclin 95.98%
10mg
$ 1596.00

ChemScene
Sofiniclin 95.98%
5mg
$ 864.00

ChemScene
Sofiniclin 95.98%
1mg
$ 432.00

American Custom Chemicals Corporation
ABT-894 95.00%
1G
$ 186.90

Total 7 raw suppliers

Chemical Property of Sofinicline

Chemical Property:

Boiling Point:417.4±45.0 °C(Predicted)
PKA:10.31±0.20(Predicted)
PSA：28.16000
Density:1.406±0.06 g/cm3(Predicted)
LogP:2.19020
XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:243.0330028
Heavy Atom Count:15
Complexity:251

Purity/Quality:

97% ^*data from raw suppliers

Sofiniclin 95.98% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2CN(CC2N1)C3=CC(=C(N=C3)Cl)Cl
Isomeric SMILES:C1[C@H]2CN(C[C@H]2N1)C3=CC(=C(N=C3)Cl)Cl
Recent ClinicalTrials:Safety and Efficacy Study in Subjects With Diabetic Neuropathic Pain
Recent EU Clinical Trials:A Global, Multicenter, Randomized, Double-Blind, Placebo-Controlled Study Comparing the Safety and Efficacy of ABT-894 versus Placebo in Subjects with Diabetic Neuropathic Pain

Technology Process of Sofinicline

There total 18 articles about Sofinicline 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:

: Sofinicline tosylate

: 799279-80-4
Sofinicline

Guidance literature:: With sodium hydroxide; In water; for 0.166667h;

Reference yield:

: 876170-44-4
(1S,5S)-3-(5,6-dichloropyridin-3-yl)-3,6-diazabicyclo[3.2.0]heptane benzenesulfonate

: 799279-80-4
Sofinicline

Guidance literature:: With potassium hydroxide; In dichloromethane; Isopropyl acetate; water;

Reference yield:

: 876068-51-8
(3S,4S)-[4-amino-1-(5,6-dichloro-pyridin-3-yl)-pyrrolidin-3-yl]-methanol

: 799279-80-4
Sofinicline

Guidance literature:: With thionyl chloride; In 1,2-dimethoxyethane; N-methylpyrrolidinone; at 20 - 60 ℃; for 3h; Product distribution / selectivity;