gamma-Secretase Inhibitor XVI

Base Information

Chemical Name:gamma-Secretase Inhibitor XVI
CAS No.:208255-51-0
Molecular Formula:C₂₀H₂₀F₂N₂O₄
Molecular Weight:390.387
Hs Code.:
DSSTox Substance ID:DTXSID90440198
Wikidata:Q82256449
ChEMBL ID:CHEMBL4278710
Mol file:208255-51-0.mol

Synonyms:gamma-Secretase Inhibitor XVI;208255-51-0;3,5-Difluorophenylacetyl-Ala-Phg-OMe;methyl (2S)-2-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoyl]amino]-2-phenylacetate;Benzeneacetic acid, alpha-[[(2S)-2-[[2-(3,5-difluorophenyl)acetyl]amino]-1-oxopropyl]amino]-, methyl ester, (alphaS)-;N-[N-3,5-Difluorophenacetyl]-L-alanyl-S-phenylglycine Methyl Ester;gamma -Secretase Inhibitor XVI;CHEMBL4278710;SCHEMBL14886930;DTXSID90440198;J-013655;(S)-methyl 2-((S)-2-(2-(3,5-difluorophenyl)acetamido)propanamido)-2-phenylacetate

Suppliers and Price of gamma-Secretase Inhibitor XVI

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
γ-SecretaseInhibitorXVI
5mg
$ 125.00

American Custom Chemicals Corporation
3,5-DIFLUOROPHENYLACETYL-ALA-PHG-OME 98.00%
25MG
$ 1732.50

Total 11 raw suppliers

Chemical Property of gamma-Secretase Inhibitor XVI

Chemical Property:

Boiling Point:601.017 °C at 760 mmHg
Flash Point:317.284 °C
PSA：84.50000
Density:1.272 g/cm³
LogP:2.82430
XLogP3:2.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:390.13911345
Heavy Atom Count:28
Complexity:544

Purity/Quality:

99% ^*data from raw suppliers

γ-SecretaseInhibitorXVI ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C(=O)NC(C1=CC=CC=C1)C(=O)OC)NC(=O)CC2=CC(=CC(=C2)F)F
Isomeric SMILES:C[C@@H](C(=O)N[C@@H](C1=CC=CC=C1)C(=O)OC)NC(=O)CC2=CC(=CC(=C2)F)F
Uses gamma-Secretase Inhibitor XVI is a γ-secretase inhibitor that selectively blocks Aβ dimer and trimer formation.

Technology Process of gamma-Secretase Inhibitor XVI

There total 5 articles about gamma-Secretase Inhibitor XVI 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:

: 6591-61-3,24461-61-8,26682-99-5,37760-98-8
(S)-Phenylglycine methyl ester

: 208255-51-0
N-[N-3,5-difluorophenylacetyl]-1-alanyl-(S)-phenylglycine methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: DCC; HOBt; Et₃N / CH₂Cl₂ / 20 °C

2: H₂ / Pd/C / methanol / 20 °C

3: WSCD*HCl / CH₂Cl₂ / 20 °C

With WSCD*HCl; hydrogen; benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide; palladium on activated charcoal; In methanol; dichloromethane;
DOI:10.1016/j.bmcl.2004.01.067

Reference yield:

: 105184-38-1
3,5-difluorophenyl acetic acid

: (S)-((S)-2-Amino-propionylamino)-phenyl-acetic acid methyl ester

: 208255-51-0
N-[N-3,5-difluorophenylacetyl]-1-alanyl-(S)-phenylglycine methyl ester

Guidance literature:: With 4-methyl-morpholine; benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran;
DOI:10.1016/S0960-894X(02)00684-4

Reference yield:

: 2935-35-5
(S)-2-phenylglycine

: 208255-51-0
N-[N-3,5-difluorophenylacetyl]-1-alanyl-(S)-phenylglycine methyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: HClO₄ / 20 °C

2: DCC; HOBt; Et₃N / CH₂Cl₂ / 20 °C

3: H₂ / Pd/C / methanol / 20 °C

4: WSCD*HCl / CH₂Cl₂ / 20 °C

With perchloric acid; WSCD*HCl; hydrogen; benzotriazol-1-ol; triethylamine; dicyclohexyl-carbodiimide; palladium on activated charcoal; In methanol; dichloromethane;
DOI:10.1016/j.bmcl.2004.01.067