Odevixibat

Base Information

Chemical Name:Odevixibat
CAS No.:501692-44-0
Molecular Formula:C₃₇H₄₈N₄O₈S₂
Molecular Weight:740.942
Hs Code.:
UNII:2W150K0UUC
DSSTox Substance ID:DTXSID601336860
Wikipedia:Odevixibat
NCI Thesaurus Code:C166598
RXCUI:2563966
Pharos Ligand ID:C9A2XNKK9SBX
ChEMBL ID:CHEMBL4297588

Synonyms:(2S)-2-(((2R)-2-((((3,3-Dibutyl-7-(methylsulfanyl)-1,1-dioxido-5-phenyl-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepin-8-yl)oxy)acetyl)amino)-2-(4-hydroxyphenyl)acetyl)amino)butanoic acid;bylvay;odevixibat

Suppliers and Price of Odevixibat

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

Total 28 raw suppliers

Chemical Property of Odevixibat

Chemical Property:

Density:1.34±0.1 g/cm3(Predicted)
XLogP3:6.8
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:17
Exact Mass:740.29135685
Heavy Atom Count:51
Complexity:1230

Purity/Quality:: 97% 98% 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Drug Classes:Ileal Bile Acid Transporter (IBAT) Inhibitors
Canonical SMILES:CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)N1)OCC(=O)NC(C3=CC=C(C=C3)O)C(=O)NC(CC)C(=O)O)SC)C4=CC=CC=C4)CCCC
Isomeric SMILES:CCCCC1(CN(C2=CC(=C(C=C2S(=O)(=O)N1)OCC(=O)N[C@H](C3=CC=C(C=C3)O)C(=O)N[C@@H](CC)C(=O)O)SC)C4=CC=CC=C4)CCCC
Recent ClinicalTrials:Efficacy and Safety of Odevixibat in Children With Biliary Atresia Who Have Undergone a Kasai HPE (BOLD)
Recent EU Clinical Trials:A Phase 3 Double-blind, Randomized, Placebo-controlled Study of the Safety and Efficacy of Odevixibat (A4250) in Patients with Alagille Syndrome (ASSERT)

Technology Process of Odevixibat

There total 9 articles about Odevixibat 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:

: C₄₁H₅₆N₄O₈S₂

: 501692-44-0
1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-(N-{(R)-α-[N-((S)-1-carboxypropyl)carbamoyl]-4-hydroxybenzyl})carbamoylmethoxy-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepine

Guidance literature:: With trifluoroacetic acid; In dichloromethane; at 18 - 25 ℃; for 7h; Inert atmosphere;

Reference yield:

: 501692-63-3
1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-carboxymethoxy-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepine

: 501692-44-0
1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-(N-{(R)-α-[N-((S)-1-carboxypropyl)carbamoyl]-4-hydroxybenzyl})carbamoylmethoxy-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepine

Guidance literature:: Multi-step reaction with 4 steps

1.1: 2,6-dimethylpyridine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate / dichloromethane / 5 h / 18 - 25 °C / Inert atmosphere

2.1: trifluoroacetic acid / dichloromethane / 4.5 h / 18 - 25 °C / Inert atmosphere

3.1: 4-methyl-morpholine / N,N-dimethyl-formamide / 0.17 h / 18 - 25 °C / Inert atmosphere

3.2: 1 h / 18 - 25 °C / Inert atmosphere

4.1: trifluoroacetic acid / dichloromethane / 7 h / 18 - 25 °C / Inert atmosphere

With 4-methyl-morpholine; 2,6-dimethylpyridine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; trifluoroacetic acid; In dichloromethane; N,N-dimethyl-formamide;

Reference yield:

: 501692-60-0
1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-ethoxycarbonylmethoxy-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepine

: 501692-44-0
1,1-dioxo-3,3-dibutyl-5-phenyl-7-methylthio-8-(N-{(R)-α-[N-((S)-1-carboxypropyl)carbamoyl]-4-hydroxybenzyl})carbamoylmethoxy-2,3,4,5-tetrahydro-1,2,5-benzothiadiazepine

Guidance literature:: Multi-step reaction with 5 steps

1.1: sodium hydroxide / ethanol / 18 - 25 °C / Inert atmosphere

2.1: 2,6-dimethylpyridine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate / dichloromethane / 5 h / 18 - 25 °C / Inert atmosphere

3.1: trifluoroacetic acid / dichloromethane / 4.5 h / 18 - 25 °C / Inert atmosphere

4.1: 4-methyl-morpholine / N,N-dimethyl-formamide / 0.17 h / 18 - 25 °C / Inert atmosphere

4.2: 1 h / 18 - 25 °C / Inert atmosphere

5.1: trifluoroacetic acid / dichloromethane / 7 h / 18 - 25 °C / Inert atmosphere

With 4-methyl-morpholine; 2,6-dimethylpyridine; O-(benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; trifluoroacetic acid; sodium hydroxide; In ethanol; dichloromethane; N,N-dimethyl-formamide;