Amsilarotene

Base Information

Chemical Name:Amsilarotene
CAS No.:125973-56-0
Molecular Formula:C20H27 N O3 Si2
Molecular Weight:385.609
Hs Code.:
UNII:Q1418F39MH
DSSTox Substance ID:DTXSID90155013
Nikkaji Number:J783.020C
Wikidata:Q27286879
NCI Thesaurus Code:C38684
ChEMBL ID:CHEMBL32994
Mol file:125973-56-0.mol

Synonyms:4-(3,5-bis(trimethylsilyl)benzamido)benzoic acid;Am 555S;Am-555S;Am555S;TAC 101;TAC-101

Suppliers and Price of Amsilarotene

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

American Custom Chemicals Corporation
TAC-101 95.00%
100MG
$ 2317.35

American Custom Chemicals Corporation
TAC-101 95.00%
5MG
$ 503.76

Total 18 raw suppliers

Chemical Property of Amsilarotene

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:280℃ (decomposition)
Boiling Point:403.301°C at 760 mmHg
PKA:4.28±0.10(Predicted)
Flash Point:197.71°C
PSA：66.40000
Density:1.103g/cm³
LogP:3.80050
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:385.15294679
Heavy Atom Count:26
Complexity:494

Purity/Quality:

99%, ^*data from raw suppliers

TAC-101 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C[Si](C)(C)C1=CC(=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)O)[Si](C)(C)C
Recent ClinicalTrials:Phase 2 Study of TAC-101 Combined With Transcatheter Arterial Chemoembolization (TACE) Versus TACE Alone in Japanese Patients With Advanced Hepatocellular Carcinoma
Recent EU Clinical Trials:A PHASE 2, DOUBLE-BLIND, PLACEBO-CONTROLLED, RANDOMIZED, INTERNATIONAL, MULTICENTER STUDY OF ORAL TAC 101 AS SECOND LINE TREATMENT IN PATIENTS WITH ADVANCED HEPATOCELLULAR CARCINOMA WHO RECEIVED SORAFENIB AS FIRST LINE THERAPY

Technology Process of Amsilarotene

There total 6 articles about Amsilarotene 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: 66.0%

: 125973-71-9
methyl 4-<<3,5-bis(trimethylsilyl)phenyl>carboxamido>benzoate

: 125973-56-0
Amsilarotene

Guidance literature:: With sodium hydroxide; ethanol;
DOI:10.1021/jm00167a024

Reference yield:

: 626-39-1
1,3,5-trisbromobenzene

: 125973-56-0
Amsilarotene

Guidance literature:: Multi-step reaction with 6 steps

1: 56 percent / Mg / tetrahydrofuran

2: 77 percent / AlCl₃ / CS₂ / 1 h / 0 °C

3: 33 percent / Ca(OCl)2, K₂CO₃, KOH / H₂O / 7.5 h / 110 °C

4: SOCl₂, CaCO₃ / benzene; dimethylformamide / 2 h / Ambient temperature

5: 36 percent / Et₃N / benzene

6: 66 percent / aq. NaOH/EtOH

With potassium hydroxide; sodium hydroxide; calcium hypochlorite; aluminium trichloride; thionyl chloride; ethanol; potassium carbonate; magnesium; triethylamine; calcium carbonate; In tetrahydrofuran; carbon disulfide; water; N,N-dimethyl-formamide; benzene;
DOI:10.1021/jm00167a024

Reference yield:

: 5624-60-2
1,3,5-tris(trimethylsilyl)benzene

: 125973-56-0
Amsilarotene

Guidance literature:: Multi-step reaction with 5 steps

1: 77 percent / AlCl₃ / CS₂ / 1 h / 0 °C

2: 33 percent / Ca(OCl)2, K₂CO₃, KOH / H₂O / 7.5 h / 110 °C

3: SOCl₂, CaCO₃ / benzene; dimethylformamide / 2 h / Ambient temperature

4: 36 percent / Et₃N / benzene

5: 66 percent / aq. NaOH/EtOH

With potassium hydroxide; sodium hydroxide; calcium hypochlorite; aluminium trichloride; thionyl chloride; ethanol; potassium carbonate; triethylamine; calcium carbonate; In carbon disulfide; water; N,N-dimethyl-formamide; benzene;
DOI:10.1021/jm00167a024