(-)-trans-(1S,2S)-U-50488 hydrochloride hydrate

Base Information

Chemical Name:(-)-trans-(1S,2S)-U-50488 hydrochloride hydrate
CAS No.:114528-79-9
Molecular Formula:C₁₉H₂₆Cl₂N₂O*ClH
Molecular Weight:405.795
Hs Code.:
DSSTox Substance ID:DTXSID201017612
Mol file:114528-79-9.mol

Synonyms:(-)-trans-(1S,2S)-U-50488 hydrochloride hydrate;114528-79-9;DTXSID201017612;MFCD11044455;trans-(1S,2S)-3,4-Dichloro-N-methyl-N-[2-(1-pyrrolidinyl)cyclohexyl]benzeneacetamide hydrochloride hydrate;(-)-trans-(1S,2S)-U-50488 hydrochloride hydrate, solid, >=98% (HPLC);2-(3,4-Dichlorophenyl)-N-methyl-N-[(1S,2S)-2-(1-pyrrolidinyl)cyclohexyl]acetamide hydrochloride (1:1)

Suppliers and Price of (-)-trans-(1S,2S)-U-50488 hydrochloride hydrate

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
(-)-U-50488Hydrochloride
5mg
$ 305.00

TRC
(-)-U-50488Hydrochloride
2.5mg
$ 195.00

Tocris
(-)-U-50488hydrochloride ≥99%(HPLC)
10
$ 159.00

Tocris
(-)-U-50488hydrochloride ≥99%(HPLC)
50
$ 668.00

Sigma-Aldrich
(?)-trans-(1S,2S)-U-50488 hydrochloride hydrate solid, ≥98% (HPLC)
5mg
$ 106.00

Sigma-Aldrich
(?)-trans-(1S,2S)-U-50488 hydrochloride hydrate solid, ≥98% (HPLC)
25mg
$ 352.00

Sigma-Aldrich
(?)-trans-(1S,2S)-U-50488 hydrochloride hydrate solid, ≥98% (HPLC)
100mg
$ 1060.00

ApexBio Technology
(-)-U-50488hydrochloride
50mg
$ 990.00

ApexBio Technology
(-)-U-50488hydrochloride
10mg
$ 234.00

AK Scientific
U50488Hydrochloride
10mg
$ 110.00

Total 13 raw suppliers

Chemical Property of (-)-trans-(1S,2S)-U-50488 hydrochloride hydrate

Chemical Property:

PSA：32.78000
LogP:5.07690
Storage Temp.:2-8°C
Solubility.:H2O: soluble13mg/mL
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:422.129461
Heavy Atom Count:26
Complexity:428

Purity/Quality:

99%, ^*data from raw suppliers

(-)-U-50488Hydrochloride ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C1CCCCC1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.O.Cl
Isomeric SMILES:CN([C@H]1CCCC[C@@H]1N2CCCC2)C(=O)CC3=CC(=C(C=C3)Cl)Cl.O.Cl
Uses (-)-U-50488 Hydrochloride is an analgesic agent used in the protection of ischemia/ischemia reperfusion. (?)-trans-(1S,2S)-U-50488 hydrochloride hydrate (U-50488) has been used as a κ-opioid receptor (KOR) agonist has been used to study its effect on the increase of tidal volumes in adult red-eared slider turtles (Trachemys scripta).

Technology Process of (-)-trans-(1S,2S)-U-50488 hydrochloride hydrate

There total 5 articles about (-)-trans-(1S,2S)-U-50488 hydrochloride hydrate 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:

: 69420-67-3
(+/-)-trans-[2-(pyrrolidinyl)]cyclohexanol

: 67197-96-0,74512-83-7,109620-49-7,114358-63-3,114528-79-9,114528-81-3,121843-55-8
U 50488 hydrochloride

Guidance literature:: Multi-step reaction with 4 steps

1: triethylamine / diethyl ether / 0.5 h / 0 °C / Inert atmosphere

2: diethyl ether; water / 18 h / 10 - 20 °C / Inert atmosphere; Cooling with ice

3: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 °C / Inert atmosphere

4: hydrogenchloride / diethyl ether; ethyl acetate / Inert atmosphere

With hydrogenchloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; In diethyl ether; water; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1002/cmdc.201100278

Reference yield:

: 67198-34-9,67198-53-2,67347-43-7,99239-39-1,116301-06-5,121843-49-0,121843-50-3,121843-51-4,142434-12-6
trans-(+/-)-N-methyl-2-(pyrrolidin-1-yl)cyclohexanamine

: 67197-96-0,74512-83-7,109620-49-7,114358-63-3,114528-79-9,114528-81-3,121843-55-8
U 50488 hydrochloride

Guidance literature:: Multi-step reaction with 2 steps

1: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 °C / Inert atmosphere

2: hydrogenchloride / diethyl ether; ethyl acetate / Inert atmosphere

With hydrogenchloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; In diethyl ether; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1002/cmdc.201100278

Reference yield:

: 286-20-4
cyclohexane-1,2-epoxide

: 67197-96-0,74512-83-7,109620-49-7,114358-63-3,114528-79-9,114528-81-3,121843-55-8
U 50488 hydrochloride

Guidance literature:: Multi-step reaction with 5 steps

1: ethanol / 18 h / 80 °C / Inert atmosphere

2: triethylamine / diethyl ether / 0.5 h / 0 °C / Inert atmosphere

3: diethyl ether; water / 18 h / 10 - 20 °C / Inert atmosphere; Cooling with ice

4: benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 20 °C / Inert atmosphere

5: hydrogenchloride / diethyl ether; ethyl acetate / Inert atmosphere

With hydrogenchloride; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; triethylamine; N-ethyl-N,N-diisopropylamine; In diethyl ether; ethanol; water; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1002/cmdc.201100278