Empa

Base Information

Chemical Name:Empa
CAS No.:680590-49-2
Molecular Formula:C23H26N4O4S
Molecular Weight:454.55
Hs Code.:
European Community (EC) Number:806-363-9
UNII:VT87V86D7W
DSSTox Substance ID:DTXSID101045254
Wikipedia:EMPA_(drug)
Wikidata:Q5323607
Pharos Ligand ID:PTBUA2A5DQ7N
ChEMBL ID:CHEMBL2385132
Mol file:680590-49-2.mol

Synonyms:EMPA;680590-49-2;N-Ethyl-2-((N-(6-methoxypyridin-3-yl)-2-methylphenyl)sulfonamido)-N-(pyridin-3-ylmethyl)acetamide;VT87V86D7W;CHEMBL2385132;7MA;Acetamide, N-ethyl-2-((6-methoxy-3-pyridinyl)((2-methylphenyl)sulfonyl)amino)-N-(3-pyridinylmethyl)-;N-Ethyl-2-((6-methoxy-3-pyridinyl)((2-methylphenyl)sulfonyl)amino)-N-(3-pyridinylmethyl)acetamide;N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonyl-amino]-N-(pyridin-3-ylmethyl)ethanamide;N-ethyl-2-[(6-methoxypyridin-3-yl)-(2-methylphenyl)sulfonylamino]-N-(pyridin-3-ylmethyl)acetamide;D02MDC;UNII-VT87V86D7W;GTPL4037;SCHEMBL1040297;KJPHTXTWFHVJIG-UHFFFAOYSA-N;DTXSID101045254;BCP23952;BDBM50434481;AKOS024458223;NCGC00386678-02;NCGC00386678-04;HY-108682;CS-0029473;E98987;Q5323607;N-ethyl-2-(N-(6-methoxypyridin-3-yl)-2-methylphenylsulfonamido)-N-(pyridin-3-ylmethyl)acetamide;N-Ethyl-2-[(6-methoxy-3-pyridinyl)[(2-methylphenyl)sulfonyl]amino]-N-(3-pyridinylmethyl)-acetamide;N-Ethyl-2-[(6-methoxy-pyridin-3-yl)-(toluene-2-sulfonyl)-amino]-N-pyridin-3-ylmethyl-acetamide;N-ethyl-2-[(6-methoxy-pyridin-3-yl)-(toluene-2-sulphonyl)-amino]-N-pyridin-3-ylmethyl-acetamide

Suppliers and Price of Empa

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
EMPA
100mg
$ 1210.00

Sigma-Aldrich
EMPA ≥98% (HPLC)
25mg
$ 434.00

Sigma-Aldrich
EMPA ≥98% (HPLC)
5mg
$ 107.00

DC Chemicals
EMPA
002
$ 1100.00

ChemScene
EMPA 99.69%
10mg
$ 950.00

ChemScene
EMPA 99.69%
5mg
$ 550.00

ChemScene
EMPA 99.69%
1mg
$ 185.00

Cayman Chemical
EMPA
10mg
$ 165.00

Cayman Chemical
EMPA
5mg
$ 103.00

ApexBio Technology
EMPA
50mg
$ 1494.00

Total 9 raw suppliers

Chemical Property of Empa

Chemical Property:

Boiling Point:660.7±65.0 °C(Predicted)
PKA:4.77±0.10(Predicted)
PSA：101.08000
Density:1.280±0.06 g/cm3(Predicted)
LogP:4.11840
Storage Temp.:?20°C
XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:454.16747650
Heavy Atom Count:32
Complexity:699

Purity/Quality:

99%, ^*data from raw suppliers

EMPA ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 22

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN(CC1=CN=CC=C1)C(=O)CN(C2=CN=C(C=C2)OC)S(=O)(=O)C3=CC=CC=C3C
Recent ClinicalTrials:Empagliflozin Add on to Linagliptin Study in Japanese Patient With Type 2 Diabetes Mellitus
Description EMPA is an orexin 2 receptor (OX2R) antagonist (Ki = 1.1 nM). It is selective for OX2R over OX1R (Ki = 900 nM). EMPA inhibits orexin-A- and orexin-B-induced calcium mobilization (IC50s = 8.8 and 7.9 nM, respectively) and increases orexin-A- and orexin-B-induced inositol phosphate accumulation (EC50s = 1.1 and 2.4 nM, respectively) in CHO(dHFr-) cells expressing recombinant human OX2R. It reduces spontaneous locomotor activity and orexin-B-induced hyperlocomotion in mice when administered at doses ranging between 10 and 300 mg/kg.

Technology Process of Empa

There total 6 articles about Empa 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: 72.0%

: 3000-75-7
N-ethyl-N-(3-pyridylmethyl)amine

: 680591-44-0
[(6-methoxy-pyridin-3-yl)-(toluene-2-sulfonyl)-amino]-acetic acid

: 680590-49-2
[3H]-EMPA

Guidance literature:: With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane;
DOI:10.1016/j.bmcl.2013.03.079

Reference yield:

: 1435913-07-7
C₂₂H₂₄N₄O₄S

: 74-88-4
methyl iodide

: 680590-49-2
[3H]-EMPA

: C₂₃H₂₈N₄O₄S

Guidance literature:: With silver carbonate; In dimethyl sulfoxide; at 50 ℃; Solvent; Reagent/catalyst;
DOI:10.1016/j.bmcl.2013.03.079

Reference yield:

: 133-59-5
Toluene-2-sulfonyl chloride

: 680590-49-2
[3H]-EMPA

Guidance literature:: Multi-step reaction with 3 steps

1.1: pyridine / 1 h / 0 - 20 °C

2.1: potassium tert-butylate / dimethyl sulfoxide / 60 °C

2.2: 1 h / 80 °C

3.1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane

With pyridine; potassium tert-butylate; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; dimethyl sulfoxide;
DOI:10.1016/j.bmcl.2013.03.079