6-[4-Methyl-2-oxo-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]hexanoic acid

Base Information Edit

Chemical Name:6-[4-Methyl-2-oxo-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]hexanoic acid
CAS No.:831217-43-7
Molecular Formula:C31H32N2O5
Molecular Weight:512.605
Hs Code.:
European Community (EC) Number:684-986-3
DSSTox Substance ID:DTXSID30420131
Nikkaji Number:J2.551.582J
ChEMBL ID:CHEMBL411666
Mol file:831217-43-7.mol

Synonyms:831217-43-7;MAL2-11B;116-9e;MAL2-11B (116-9e);1(2H)-Pyrimidinehexanoic acid, 4-[1,1'-biphenyl]-4-yl-3,4-dihydro-6-methyl-2-oxo-5-[(phenylmethoxy)carbonyl]-;6-[4-methyl-2-oxo-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]hexanoic acid;4-[1,1'-Biphenyl]-4-yl-3,4-dihydro-6-methyl-2-oxo-5-[(phenylmethoxy)carbonyl]-1(2H)-Pyrimidinehexanoic acid;SMR000388845;UPCMLD00WMAL2-11B;MAL211B;MLS000563636;MLS003180886;CHEMBL411666;MAL2 11B;MAL 2 11B;MAL-2-11B;DTXSID30420131;GHFQWLNXJMUCGC-UHFFFAOYSA-N;HMS2227G12;HMS3334E11;UPCMLD00WMAL2-11B:002;UPCMLD00WMAL2-11B:003;UPCMLD00WMAL2-11B:004;CMLD4_000072;AKOS040747130;SDCCGMLS-0091265.P001;NCGC00485182-01;MS-29517;116-9e, >=98% (HPLC), powder;HY-116683;CS-0066274;F17964;1(2H)-Pyrimidinehexanoicacid,4-[1,1'-biphenyl]-4-yl-3,4-dihydro-6-methyl-2-oxo-5-[(phenylmethoxy)carbonyl]-;2-Oxo-4-(4-biphenylyl)-5-(benzyloxycarbonyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-1-hexanoic acid

Suppliers and Price of 6-[4-Methyl-2-oxo-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]hexanoic acid

Supply Marketing:Edit

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
116-9e ≥98% (HPLC), powder
25mg
$ 530.00

Sigma-Aldrich
116-9e ≥98% (HPLC), powder
5mg
$ 133.00

Total 6 raw suppliers

Chemical Property of 6-[4-Methyl-2-oxo-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]hexanoic acid Edit

Chemical Property:

PSA：99.43000
LogP:5.66020
Storage Temp.:2-8°C
Solubility.:DMSO: >20mg/mL
XLogP3:4.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:12
Exact Mass:512.23112213
Heavy Atom Count:38
Complexity:835

Purity/Quality:

97% ^*data from raw suppliers

116-9e ≥98% (HPLC), powder ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T,N
Statements: 25-50/53
Safety Statements: 45-60-61

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C(NC(=O)N1CCCCCC(=O)O)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
Uses 116-9e has been used as an inhibitor of heat shock protein 70 (Hsp70) co-chaperone HDJ2 (human Ydj1/DNAJA1) to study the influence of HDJ2 on the regulation of ribonucleotide reductase (RNR) activity in HEK293 cells. It has also been used as an Hsp70 inhibitor to study the effect of Hsp70 chaperone on b5‐ops glycosylation in the side populations (SP) HeLa cells.

Technology Process of 6-[4-Methyl-2-oxo-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]hexanoic acid

There total 1 articles about 6-[4-Methyl-2-oxo-5-phenylmethoxycarbonyl-6-(4-phenylphenyl)-1,6-dihydropyrimidin-3-yl]hexanoic acid 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: 76.0%