(S)-N-Hydroxy-4-(3-methyl-2-phenylbutanamido)benzamide

Base Information

Chemical Name:(S)-N-Hydroxy-4-(3-methyl-2-phenylbutanamido)benzamide
CAS No.:935881-37-1
Molecular Formula:C₁₈H₂₀N₂O₃
Molecular Weight:312.368
Hs Code.:2924299090
European Community (EC) Number:802-219-4
UNII:E0GG29V0AQ
DSSTox Substance ID:DTXSID4042678
Nikkaji Number:J2.620.907B
Wikidata:Q27276699
NCI Thesaurus Code:C116850
Pharos Ligand ID:QD2GVA7ZPC3Q
Metabolomics Workbench ID:153647
ChEMBL ID:CHEMBL191482
Mol file:935881-37-1.mol

Synonyms:HDAC-42

Suppliers and Price of (S)-N-Hydroxy-4-(3-methyl-2-phenylbutanamido)benzamide

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
AR-42
2mg
$ 55.00

TRC
AR-42
10mg
$ 165.00

TRC
AR-42
100mg
$ 1230.00

Crysdot
AR-42 98+%
50mg
$ 610.00

Crysdot
AR-42 98+%
10mg
$ 195.00

Crysdot
AR-42 98+%
5mg
$ 50.00

Crysdot
AR-42 98+%
100mg
$ 1210.00

Crysdot
AR-42 98+%
25mg
$ 388.00

Axon Medchem
AR-42 99%
50 mg
$ 495.00

Arctom
AR-42 ≥98%
10mg
$ 358.00

Total 57 raw suppliers

Chemical Property of (S)-N-Hydroxy-4-(3-methyl-2-phenylbutanamido)benzamide

Chemical Property:

PSA：78.43000
Density:1.223
LogP:3.64780
Storage Temp.:Inert atmosphere,Store in freezer, under -20°C
Solubility.:insoluble in EtOH; insoluble in H2O; ≥15.62 mg/mL in DMSO
XLogP3:2.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:312.14739250
Heavy Atom Count:23
Complexity:397

Purity/Quality:

99%, ^*data from raw suppliers

AR-42 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)C(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO
Isomeric SMILES:CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO
Recent ClinicalTrials:Efficacy and Safety of REC-2282 in Patients With Progressive Neurofibromatosis Type 2 (NF2) Mutated Meningiomas
Uses AR-42 is a broad spectrum deacetylase inhibitor of both histone and non-histone proteins, which has demonstrated greater potency and activity in solid tumors and hematological malignancies. AR-42 is k nown utilized as a novel, oral cancer therapy currently in early clinical development.

Technology Process of (S)-N-Hydroxy-4-(3-methyl-2-phenylbutanamido)benzamide

There total 22 articles about (S)-N-Hydroxy-4-(3-methyl-2-phenylbutanamido)benzamide 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%

: 854780-19-1
N-benzyloxy-4-(3-methyl-2-phenyl-butyrylamino)benzamide

: 854779-93-4,935881-37-1
N-hydroxy-4-[(3-methyl-2-phenylbutanoyl)amino]benzamide

Guidance literature:: With hydrogen; palladium 10% on activated carbon; In tetrahydrofuran; methanol; for 2h;

Reference yield:

: 3508-94-9
3-methyl-2-phenylbutyric acid

: 854779-93-4,935881-37-1
N-hydroxy-4-[(3-methyl-2-phenylbutanoyl)amino]benzamide

Guidance literature:: Multi-step reaction with 5 steps

1.1: thionyl chloride / 1 h / 50 °C

2.1: triethylamine / tetrahydrofuran / 4 h / 20 °C

3.1: potassium hydroxide / methanol / 2 h / Heating / reflux

3.2: 0 °C

4.1: triethylamine / tetrahydrofuran / 0.17 h / 20 °C

4.2: 20 °C

5.1: hydrogen / palladium 10% on activated carbon / tetrahydrofuran; methanol / 2 h

With potassium hydroxide; thionyl chloride; hydrogen; triethylamine; palladium 10% on activated carbon; In tetrahydrofuran; methanol;

Reference yield:

: 934838-62-7
N-benzyloxy-4-(3-methyl-2-phenyl-butyrylamino)-benzamide

: 935881-37-1
AR-42

Guidance literature:: With hydrogen; palladium on activated charcoal; In tetrahydrofuran; methanol; for 2h; atmospheric pressure;
DOI:10.1021/jm0503749