Ulimorelin

Base Information

Chemical Name:Ulimorelin
CAS No.:842131-33-3
Deprecated CAS:1009637-26-6
Molecular Formula:C₃₀H₃₉FN₄O₄
Molecular Weight:538.662
Hs Code.:
UNII:LGI67MCW2S
ChEMBL ID:CHEMBL1963249
DSSTox Substance ID:DTXSID00233139
Metabolomics Workbench ID:153174
NCI Thesaurus Code:C152792
Nikkaji Number:J2.766.059B
Pharos Ligand ID:SG1FLMDSPWFV
Wikidata:Q21098959
Wikipedia:Ulimorelin
Mol file:842131-33-3.mol

Synonyms:TZP-101;ulimorelin

Suppliers and Price of Ulimorelin

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

American Custom Chemicals Corporation
TZP-101 95.00%
5MG
$ 501.64

Total 1 raw suppliers

Chemical Property of Ulimorelin

Chemical Property:

PSA：99.77000
LogP:3.52230
XLogP3:3.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:538.29553390
Heavy Atom Count:39
Complexity:832

Purity/Quality:

95% ^*data from raw suppliers

TZP-101 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CNC(C(=O)N(C(C(=O)NC(C(=O)NCCCC2=CC=CC=C2O1)CC3=CC=C(C=C3)F)C)C)C4CC4
Isomeric SMILES:C[C@@H]1CN[C@H](C(=O)N([C@@H](C(=O)N[C@@H](C(=O)NCCCC2=CC=CC=C2O1)CC3=CC=C(C=C3)F)C)C)C4CC4
Recent ClinicalTrials:A Study to Assess Ulimorelin in Healthy Subjects
Recent EU Clinical Trials:A Phase 2, Multicenter, Randomized, Double-Blind, Comparator-Controlled Study of the Efficacy, Safety, and Pharmacokinetics of Intravenous Ulimorelin (LP101) in Patients with Enteral Feeding Intolerance

Technology Process of Ulimorelin

There total 20 articles about Ulimorelin 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:

: 49606-99-7,5687-71-8,15785-26-9,49607-01-4
(S)-2-amino-2-cyclopropylacetic acid

: 842131-33-3
ulimorelin

Guidance literature:: Multi-step reaction with 9 steps

1: methanol / 0 - 20 °C / Inert atmosphere

2: sodium carbonate / water / 20 °C / Inert atmosphere

3: sodium carbonate; potassium iodide / N,N-dimethyl-formamide / 100 °C / Inert atmosphere

4: sodium carbonate / tetrahydrofuran; water / 24 h / 20 °C / Inert atmosphere

5: lithium hydroxide monohydrate / tetrahydrofuran; water / 20 °C / Inert atmosphere

6: N,N-diethyl-N-isopropylamine; HATU / tetrahydrofuran; dichloromethane / 0 - 20 °C / Inert atmosphere

7: palladium 10% on activated carbon; hydrogen / ethyl acetate / 20 °C / Inert atmosphere

8: hydrogenchloride / 1,4-dioxane; water / 1.5 h / 20 °C / Inert atmosphere

9: N-ethyl-N,N-diisopropylamine; 3-[(diethoxyphosphinyl)oxy]-1,2,3-benzotriazin-4(3H)-one / tetrahydrofuran / 20 °C / Inert atmosphere

With hydrogenchloride; lithium hydroxide monohydrate; N,N-diethyl-N-isopropylamine; palladium 10% on activated carbon; hydrogen; sodium carbonate; N-ethyl-N,N-diisopropylamine; HATU; 3-[(diethoxyphosphinyl)oxy]-1,2,3-benzotriazin-4(3H)-one; potassium iodide; In tetrahydrofuran; 1,4-dioxane; methanol; dichloromethane; water; ethyl acetate; N,N-dimethyl-formamide;
DOI:10.1021/jm2007062

Reference yield:

: 18125-46-7
(R)-4-fluorophenylalanine

: 842131-33-3
ulimorelin

Guidance literature:: Multi-step reaction with 7 steps

1: Inert atmosphere; Reflux

2: N,N-diethyl-N-isopropylamine; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; 6-chloro-1-hydroxybenzotriazole / tetrahydrofuran; dichloromethane / 20 °C / Inert atmosphere

3: hydrogenchloride / 1,4-dioxane / 1 h / 20 °C / Inert atmosphere

4: N,N-diethyl-N-isopropylamine; HATU / tetrahydrofuran; dichloromethane / 0 - 20 °C / Inert atmosphere

5: palladium 10% on activated carbon; hydrogen / ethyl acetate / 20 °C / Inert atmosphere

6: hydrogenchloride / 1,4-dioxane; water / 1.5 h / 20 °C / Inert atmosphere

7: N-ethyl-N,N-diisopropylamine; 3-[(diethoxyphosphinyl)oxy]-1,2,3-benzotriazin-4(3H)-one / tetrahydrofuran / 20 °C / Inert atmosphere

With hydrogenchloride; N,N-diethyl-N-isopropylamine; palladium 10% on activated carbon; hydrogen; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine; 6-chloro-1-hydroxybenzotriazole; HATU; 3-[(diethoxyphosphinyl)oxy]-1,2,3-benzotriazin-4(3H)-one; In tetrahydrofuran; 1,4-dioxane; dichloromethane; water; ethyl acetate;
DOI:10.1021/jm2007062

Reference yield:

: 874336-42-2
(R)-2-((R)-2-((S)-2-(((R)-2-(2-(3-aminopropyl)phenoxy)propyl)-amino)-2-cyclopropyl-N-methylacetamido)propanamido)-3-(4-fluorophenyl)propanoic acid

: 842131-33-3
ulimorelin

Guidance literature:: With N-ethyl-N,N-diisopropylamine; 3-[(diethoxyphosphinyl)oxy]-1,2,3-benzotriazin-4(3H)-one; In tetrahydrofuran; at 20 ℃;