DGAT-1 inhibitor

Base Information

Chemical Name:DGAT-1 inhibitor
CAS No.:701232-20-4
Molecular Formula:C₂₂H₂₆N₄O₃
Molecular Weight:394.473
Hs Code.:
UNII:OF68Z8HK6V
DSSTox Substance ID:DTXSID50432079
Nikkaji Number:J3.313.020A
Wikidata:Q27088917
Pharos Ligand ID:V4ZSJBRP4PVR,V4ZXP351WGHN
ChEMBL ID:CHEMBL473967
Mol file:701232-20-4.mol

Synonyms:701232-20-4;T863;DGAT-1 inhibitor;DGAT-3;trans-4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexaneacetic acid;701234-65-3;OF68Z8HK6V;T-863;2-[4-[4-(4-amino-7,7-dimethylpyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl]acetic acid;cis-4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexaneacetic acid;trans-4-(4-(4-amino-7,7-dimethyl-7h-pyrimido(4,5-b)(1,4)oxazin-6-yl)phenyl)cyclohexaneacetic acid;Cyclohexaneacetic acid, 4-(4-(4-amino-7,7-dimethyl-7H-pyrimido(4,5-b)(1,4)oxazin-6-yl)phenyl)-, trans-;D02NRD;UNII-OF68Z8HK6V;CHEMBL473967;GTPL7828;SCHEMBL2501908;SCHEMBL2501911;SCHEMBL14463646;SCHEMBL14463688;SCHEMBL16624993;BDBM27947;DTXSID50432079;FUIYMYNYUHVDPT-UHFFFAOYSA-N;T863 (DGAT-3);BDB23220;EX-A6144;AKOS032947278;CS-0300;NCGC00378678-01;BS-17483;HY-32219;T863, >=98% (HPLC);FT-0763494;pyrimido[4,5-b][1,4]oxazine derivative, 2;D82322;A918019;J-525016;Q27088917;{(1r,4r)-4-[4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl}acetic acid;{4-[4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl]cyclohexyl}acetic acid;2-((1r,4r)-4-(4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl)cyclohexyl)acetic acid;2-[4-(4-{4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl}phenyl)cyclohexyl]acetic acid;trans-2-(4-(4-(4-Amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl)cyclohexyl)acetic acid;WS0

Suppliers and Price of DGAT-1 inhibitor

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

Sigma-Aldrich
T863 ≥98% (HPLC)
5mg
$ 114.00

Sigma-Aldrich
T863 ≥98% (HPLC)
25mg
$ 450.00

DC Chemicals
T863 >98%
1 g
$ 2800.00

DC Chemicals
T863 >98%
250 mg
$ 1500.00

DC Chemicals
T863 >98%
100 mg
$ 800.00

Crysdot
T863 98+%
50mg
$ 442.00

Crysdot
T863 98+%
5mg
$ 55.00

ChemScene
T863 98.32%
10mg
$ 126.00

Cayman Chemical
T-863 ≥95%
10mg
$ 189.00

Cayman Chemical
T-863 ≥95%
1mg
$ 29.00

Total 22 raw suppliers

Chemical Property of DGAT-1 inhibitor

Chemical Property:

Boiling Point:616.6±55.0 °C(Predicted)
PKA:4.72±0.10(Predicted)
PSA：110.69000
Density:1.36±0.1 g/cm3(Predicted)
LogP:4.11590
Storage Temp.:2-8°C
Solubility.:DMSO: soluble15mg/mL (clear solution)
XLogP3:3.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:394.20049070
Heavy Atom Count:29
Complexity:622

Purity/Quality:

99%, ^*data from raw suppliers

T863 ≥98% (HPLC) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(=NC2=C(N=CN=C2O1)N)C3=CC=C(C=C3)C4CCC(CC4)CC(=O)O)C
Uses T863 has been used as a diglyceride acyltransferase (DGAT1) inhibitor:to provide the opportunity to precisely control the DGAT inhibitionto treat mouse embryonic fibroblasts (MEFs) to analyse lipid droplet biogenesisto specifically block neutral?lipid synthesis?and lipid droplet formation in HT-1080 cellsto block lipid droplet (LD) formation

Technology Process of DGAT-1 inhibitor

There total 9 articles about DGAT-1 inhibitor 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:

: C₂₄H₃₂N₄O₃

: 701232-20-4
C₂₂H₂₆N₄O₃

Guidance literature:: C₂₄H₃₂N₄O₃; With sodium hydroxide; water; In tetrahydrofuran; ethanol; at 40 ℃; for 4h;

With citric acid; In water; pH=3 - 4;

Reference yield:

: 701232-18-0
ethyl 2-(4-(4-(2-bromo-2-methylpropanoyl)phenyl)cyclohexyl)acetate

: 1672-50-0
4,5-diamino-6-hydroxypyrimidine

: 701232-20-4
2-((1S,4S)-4-(4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl)cyclohexyl)acetic acid

: 701232-20-4
C₂₂H₂₆N₄O₃

: C₂₄H₃₂N₄O₃

: C₂₄H₃₂N₄O₃

Guidance literature:: ethyl 2-(4-(4-(2-bromo-2-methylpropanoyl)phenyl)cyclohexyl)acetate; 4,5-diamino-6-hydroxypyrimidine; With hydrogenchloride; In ethanol; water; at 105 ℃; for 12h; Heating / reflux;

With sodium hydroxide; In ethanol; water; pH=8 - 9;

With citric acid; In ethanol; water; pH=3 - 4;

Reference yield:

: 701232-18-0
ethyl 2-(4-(4-(2-bromo-2-methylpropanoyl)phenyl)cyclohexyl)acetate

: 1672-50-0
4,5-diamino-6-hydroxypyrimidine

: 701232-20-4
2-((1S,4S)-4-(4-(4-amino-7,7-dimethyl-7H-pyrimido[4,5-b][1,4]oxazin-6-yl)phenyl)cyclohexyl)acetic acid

: 701232-20-4
C₂₂H₂₆N₄O₃

: C₂₄H₃₂N₄O₃

: C₂₄H₃₂N₄O₃

Guidance literature:: ethyl 2-(4-(4-(2-bromo-2-methylpropanoyl)phenyl)cyclohexyl)acetate; 4,5-diamino-6-hydroxypyrimidine; With hydrogenchloride; In ethanol; water; at 105 ℃; for 12h; Heating / reflux;

With sodium hydroxide; In ethanol; water; pH=8 - 9;

With citric acid; In ethanol; water; pH=3 - 4;