Methylstat

Base Information

Chemical Name:Methylstat
CAS No.:1310877-95-2
Molecular Formula:C₂₈H₃₁N₃O₆
Molecular Weight:505.571
Hs Code.:
DSSTox Substance ID:DTXSID801025946
Nikkaji Number:J3.272.918E
ChEMBL ID:CHEMBL3347630

Synonyms:4-(hydroxy-(4-((4-(((1-naphthalenylamino)-oxomethoxy)methyl)phenyl)methylamino)butyl)amino)-4-oxo-2-butenoic acid methyl ester;methylstat

Suppliers and Price of Methylstat

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

Sigma-Aldrich
Methylstat ≥98% (HPLC)
25mg
$ 662.00

Sigma-Aldrich
JMJD Histone Demethylase Inhibitor IV, Methylstat
10mg
$ 281.00

Sigma-Aldrich
Methylstat ≥98% (HPLC)
5mg
$ 173.00

Total 3 raw suppliers

Chemical Property of Methylstat

Chemical Property:

Storage Temp.:2-8°C
Solubility.:DMSO: >5mg/mL
XLogP3:3.4
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:14
Exact Mass:505.22128572
Heavy Atom Count:37
Complexity:752

Purity/Quality:

97% ^*data from raw suppliers

Methylstat ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C=CC(=O)N(CCCCNCC1=CC=C(C=C1)COC(=O)NC2=CC=CC3=CC=CC=C32)O
Isomeric SMILES:COC(=O)/C=C/C(=O)N(CCCCNCC1=CC=C(C=C1)COC(=O)NC2=CC=CC3=CC=CC=C32)O

Technology Process of Methylstat

There total 7 articles about Methylstat 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:

: 1310809-33-6
4-(hydroxymethyl)benzyl naphthalen-1-ylcarbamate

: 1310877-95-2
(E)-methyl 4-(N-hydroxy-4-(4-((naphthalen-1-yl-carbamoyloxy)methyl)benzylamino)butylamino)-4-oxobut-2-enoate

Guidance literature:: Multi-step reaction with 2 steps

1.1: dipyridinium dichromate / dichloromethane / 5 h / Molecular sieve

2.1: acetic acid / methanol / 0.33 h

2.2: 20 °C

With dipyridinium dichromate; acetic acid; In methanol; dichloromethane;
DOI:10.1021/ja201597b

Reference yield:

: 1310809-22-3
(E)-methyl 4-(benzoyloxy(4-(tert-butoxycarbonylamino)butyl)amino)-4-oxobut-2-enoate

: 1310877-95-2
(E)-methyl 4-(N-hydroxy-4-(4-((naphthalen-1-yl-carbamoyloxy)methyl)benzylamino)butylamino)-4-oxobut-2-enoate

Guidance literature:: Multi-step reaction with 3 steps

1.1: potassium carbonate / methanol / 0.5 h / 20 °C

2.1: trifluoroacetic acid / dichloromethane / 2 h / 0 - 20 °C

3.1: acetic acid / methanol / 0.33 h

3.2: 20 °C

With potassium carbonate; acetic acid; trifluoroacetic acid; In methanol; dichloromethane;
DOI:10.1021/ja201597b

Reference yield:

: 589-29-7
p-xylylene glycol

: 1310877-95-2
(E)-methyl 4-(N-hydroxy-4-(4-((naphthalen-1-yl-carbamoyloxy)methyl)benzylamino)butylamino)-4-oxobut-2-enoate

Guidance literature:: Multi-step reaction with 2 steps

1: dmap / N,N-dimethyl-formamide / 12 h / 20 °C

2: dipyridinium dichromate / dichloromethane / 5 h / Molecular sieve

With dmap; dipyridinium dichromate; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/ja201597b