Tefinostat

Base Information

Chemical Name:Tefinostat
CAS No.:914382-60-8
Molecular Formula:C₂₈H₃₇N₃O₅
Molecular Weight:495.619
Hs Code.:
UNII:ZAU91150SB
ChEMBL ID:CHEMBL4297582
DSSTox Substance ID:DTXSID00238568
Metabolomics Workbench ID:155418
NCI Thesaurus Code:C152539
Wikidata:Q27295241

Synonyms:CHR 2845;tefinostat

Suppliers and Price of Tefinostat

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
Tefinostat 98.08%
100mg
$ 2250.00

ChemScene
Tefinostat 98.08%
50mg
$ 1650.00

ChemScene
Tefinostat 98.08%
10mg
$ 550.00

ChemScene
Tefinostat 98.08%
5mg
$ 350.00

Total 3 raw suppliers

Chemical Property of Tefinostat

Chemical Property:

Density:1.21±0.1 g/cm3(Predicted)
XLogP3:3.8
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:15
Exact Mass:495.27332129
Heavy Atom Count:36
Complexity:668

Purity/Quality:

97% ^*data from raw suppliers

Tefinostat 98.08% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCC(C1)OC(=O)C(C2=CC=CC=C2)NCC3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO
Isomeric SMILES:C1CCC(C1)OC(=O)[C@H](C2=CC=CC=C2)NCC3=CC=C(C=C3)NC(=O)CCCCCCC(=O)NO
Recent ClinicalTrials:Dose Escalation Trial of Tefinostat for Cancer Associated Inflamation in Hepatocellular Carcinoma (HCC)
Recent EU Clinical Trials:A phase 2 study of the monocyte-targeted histone deacetylase inhibitor tefinostat (CHR-2845) in chronic myelomonocytic leukaemia (CMML)

Technology Process of Tefinostat

There total 9 articles about Tefinostat 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:

: 914605-65-5
(R)-{4-[7-(1-isobutoxy-ethoxycarbamoyl)-heptanoylamino]-benzylamino}-phenyl-acetic acid cyclopentyl ester

: 914382-60-8
(R)-[4-(7-hydroxycarbamoyl-heptanoylamino)-benzylamino]-phenyl-acetic acid cyclopentyl ester

Guidance literature:: With hydrogenchloride; In 1,4-dioxane; dichloromethane; for 0.5h;

Reference yield:

: 914605-62-2
7-(1-isobutoxy-ethoxycarbamoyl)-heptanoic acid

: 914382-60-8
(R)-[4-(7-hydroxycarbamoyl-heptanoylamino)-benzylamino]-phenyl-acetic acid cyclopentyl ester

Guidance literature:: Multi-step reaction with 4 steps

1.1: N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate / N,N-dimethyl-formamide / 20 °C

2.1: manganese(IV) oxide / dichloromethane / 1.5 h / 20 °C

3.1: 1,1-dichloroethane / 0.17 h

3.2: 0.03 h

3.3: 1 h / 20 °C

4.1: hydrogenchloride / 1,4-dioxane; dichloromethane / 0.5 h

With hydrogenchloride; manganese(IV) oxide; N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; In 1,4-dioxane; 1,1-dichloroethane; dichloromethane; N,N-dimethyl-formamide;

Reference yield:

: 914605-61-1
7-(1-isobutoxy-ethoxycarbamoyl)-heptanoic acid methyl ester

: 914382-60-8
(R)-[4-(7-hydroxycarbamoyl-heptanoylamino)-benzylamino]-phenyl-acetic acid cyclopentyl ester

Guidance literature:: Multi-step reaction with 5 steps

1.1: lithium hydroxide; water / tetrahydrofuran / 3 h / 50 °C

2.1: N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate / N,N-dimethyl-formamide / 20 °C

3.1: manganese(IV) oxide / dichloromethane / 1.5 h / 20 °C

4.1: 1,1-dichloroethane / 0.17 h

4.2: 0.03 h

4.3: 1 h / 20 °C

5.1: hydrogenchloride / 1,4-dioxane; dichloromethane / 0.5 h

With hydrogenchloride; manganese(IV) oxide; lithium hydroxide; water; N-ethyl-N,N-diisopropylamine; bromo-tris(1-pyrrolidinyl)phosphonium hexafluorophosphate; In tetrahydrofuran; 1,4-dioxane; 1,1-dichloroethane; dichloromethane; N,N-dimethyl-formamide;