2-Amino-2-(2-(2-chloro-4-(3-benzyloxyphenylthio)phenyl)ethyl)-1,3-propanediol

Base Information

Chemical Name:2-Amino-2-(2-(2-chloro-4-(3-benzyloxyphenylthio)phenyl)ethyl)-1,3-propanediol
CAS No.:509092-16-4
Molecular Formula:C24H26ClNO3S
Molecular Weight:443.994
Hs Code.:
UNII:X71GCJ0HLI
DSSTox Substance ID:DTXSID30965173
Nikkaji Number:J2.434.764H
Wikidata:Q27293620
NCI Thesaurus Code:C170189
ChEMBL ID:CHEMBL2137148
Mol file:509092-16-4.mol

Synonyms:mocravimod;KRP-203 free base;509092-16-4;2-Amino-2-(2-(2-chloro-4-(3-benzyloxyphenylthio)phenyl)ethyl)-1,3-propanediol;UNII-X71GCJ0HLI;X71GCJ0HLI;2-Amino-2-(4-((3-(benzyloxy)phenyl)thio)-2-chlorophenethyl)propane-1,3-diol;1,3-Propanediol, 2-amino-2-(2-(2-chloro-4-((3-(phenylmethoxy)phenyl)thio)phenyl)ethyl)-;MOCRAVIMOD [INN];MOCRAVIMOD [WHO-DD];SCHEMBL641641;GTPL9727;KRP203;CHEMBL2137148;DTXSID30965173;IINUNQPYJGJCJI-UHFFFAOYSA-N;AKOS040748951;compound 2 [PMID: 23124563];NCGC00250388-01;HY-109038;CS-0031213;Q27293620;2-Amino-2-[2-(4-{[3-(benzyloxy)phenyl]sulfanyl}-2-chlorophenyl)ethyl]propane-1,3-diol;2-amino-2-[2-[2-chloro-4-(3-phenylmethoxyphenyl)sulfanylphenyl]ethyl]propane-1,3-diol;2-amino-2-[2-[4-(3-benzyloxyphenylthio)-2-chlorophenyl]ethyl]-1,3-propanediol

Suppliers and Price of 2-Amino-2-(2-(2-chloro-4-(3-benzyloxyphenylthio)phenyl)ethyl)-1,3-propanediol

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

Total 1 raw suppliers

Chemical Property of 2-Amino-2-(2-(2-chloro-4-(3-benzyloxyphenylthio)phenyl)ethyl)-1,3-propanediol

Chemical Property:

XLogP3:4.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:10
Exact Mass:443.1321926
Heavy Atom Count:30
Complexity:487

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)COC2=CC(=CC=C2)SC3=CC(=C(C=C3)CCC(CO)(CO)N)Cl
Recent ClinicalTrials:Mocravimod as Adjunctive and Maintenance Treatment in AML Patients Undergoing Allo-HCT
Recent EU Clinical Trials:A Phase 1b/2a dose escalation study to determine the recommended dose, efficacy, and tolerability of mocravimod in patients with large B cell lymphoma treated with a CD19 CAR T therapy

Technology Process of 2-Amino-2-(2-(2-chloro-4-(3-benzyloxyphenylthio)phenyl)ethyl)-1,3-propanediol

There total 5 articles about 2-Amino-2-(2-(2-chloro-4-(3-benzyloxyphenylthio)phenyl)ethyl)-1,3-propanediol 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:

: 40248-84-8
3-mercaptophenol

: 509092-16-4
2-amino-2-[2-(4-{[3-(benzyloxy)phenyl]sulfanyl}-2-chlorophenyl)ethyl]propane-1,3-diol

Guidance literature:: Multi-step reaction with 3 steps

1: 86 percent / Pd₂(dba)3*CHCl₃; N,N-diisopropylethylamine / tris(dibenzylideneacetone)dipalladium⁽⁰⁾ / dioxane / 9 h / 120 °C

2: 97 percent / K₂CO₃ / dimethylformamide / 20 °C

3: LiOH; H₂O / methanol; tetrahydrofuran / 2 h / 80 °C

With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; lithium hydroxide; water; potassium carbonate; N-ethyl-N,N-diisopropylamine; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; In tetrahydrofuran; 1,4-dioxane; methanol; N,N-dimethyl-formamide;
DOI:10.1055/s-2007-983721