ZSTK474

Base Information

Chemical Name:ZSTK474
CAS No.:475110-96-4
Molecular Formula:C₁₉H₂₁F₂N₇O₂
Molecular Weight:417.418
Hs Code.:2934999090
UNII:K0068GK39A
ChEMBL ID:CHEMBL586702
DSSTox Substance ID:DTXSID30197179
Metabolomics Workbench ID:153799
NCI Thesaurus Code:C95723
Nikkaji Number:J2.412.801F
Pharos Ligand ID:2TU6GN6F2BA1
Wikidata:Q27089303
Mol file:475110-96-4.mol

Synonyms:2-(2-Difluoromethylbenzimidazol-1-yl)-4,6-bis(morpholino)-1,3,5-triazine;

Suppliers and Price of ZSTK474

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
ZSTK474
50mg
$ 235.00

Medical Isotopes, Inc.
ZSTK474
250 mg
$ 2040.00

Medical Isotopes, Inc.
ZSTK474
50 mg
$ 760.00

Labseeker
4,4'-(6-(2-(difluoromethyl)-1H-benzo[d]imidazol-1-yl)-1,3,5-triazine-2,4-diyl)dimorpholine 98
10g
$ 1283.00

DC Chemicals
ZSTK474 >98%
250 mg
$ 600.00

ChemScene
ZSTK474 99.71%
1g
$ 372.00

ChemScene
ZSTK474 99.71%
2g
$ 696.00

ChemScene
ZSTK474 99.71%
100mg
$ 114.00

ChemScene
ZSTK474 99.71%
10mg
$ 60.00

ChemScene
ZSTK474 99.71%
50mg
$ 84.00

Total 47 raw suppliers

Chemical Property of ZSTK474

Chemical Property:

Appearance/Colour:white powder
Vapor Pressure:0mmHg at 25°C
Refractive Index:1.711
Boiling Point:640.267 °C at 760 mmHg
PKA:5.21±0.10(Predicted)
Flash Point:341.021 °C
PSA：81.43000
Density:1.571 g/cm³
LogP:1.95130
Storage Temp.:-20°C
Solubility.:Soluble in DMSO (up to 20 mg/ml) or in Ethanol (up to 2.5 mg/ml with warming).
XLogP3:2.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:417.17247926
Heavy Atom Count:30
Complexity:539

Purity/Quality:

99%, ^*data from raw suppliers

ZSTK474 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1COCCN1C2=NC(=NC(=N2)N3C4=CC=CC=C4N=C3C(F)F)N5CCOCC5
Recent ClinicalTrials:A Study of ZSTK474 in Japanese Patients With Advanced Solid Malignancies
Description ZSTK474 (475110-96-4) is a novel Class I phosphatidylinositol 3-kinase (PI3K) inhibitor. ZSTK474 is an ATP-competitive inhibitor of all four Class I PI3K isoforms. However, it inhibits PI3Kδ most potently, with a Ki of 1.8 nM, while inhibiting the α, β and γ isoforms at slightly higher concentrations (6.7 nM, 10.4 nM and 11.7 nM, respectively)1. Displays potent antitumor activity against human cancer xenografts (A549, PC-3 and WiDr) when administered to mice2. ZSTK474 displays potent anti-inflammatory activity via modulation of human CD14+ monocyte-derived dendritic cell functions and suppresses experimental autoimmune encephalomyelitis3. Ameliorates the progression of adjuvant-induced arthritis in a rat model4.
Uses ZSTK474 is a triazine derivative that acts as an inhibitor of class I phosphatidylinositol 3-kinase (PI3K) isoforms (IC50s = 17, 53, and 6 nM for p110β, -γ, and -δ, respectively). It is selective for PI3K, as it has negligible activity against 139 other kinases when tested at 30 μM. ZSTK474 is orally bioavailable and shows strong antitumor activity against human cancer xenografts in mice. The efficacy of ZSTK474 against certain cancer cells and tumors can be enhanced by combination therapy. ZSTK474 is an ATP-competitive inhibitor of class I phosphatidylinositol 3 kinase (PI3K) isoforms. Potent PI3K inhibitor.

Technology Process of ZSTK474

There total 4 articles about ZSTK474 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: 96.0%

: 110-91-8,99108-56-2
morpholine

: 475111-38-7
4-(4-chloro-6-(2-(difluoromethyl)-1H-benzo[d]imidazole -1-yl)-1,3,5-triazin-2-yl)morpholine

: 475110-96-4
2-(2-difluoromethylbenzimidazol-1-yl)-4,6-dimorpholino-1,3,5-triazine

Guidance literature:: at 70 ℃; for 2h;

Reference yield: 84.0%

: 7597-22-0
2-chloro-4,6-di-morpholin-4-yl-[1,3,5]triazine

: 705-09-9
2-(difluoromethyl)-1H-benzo[d]imidazole

: 475110-96-4
2-(2-difluoromethylbenzimidazol-1-yl)-4,6-dimorpholino-1,3,5-triazine

Guidance literature:: With potassium carbonate; In dimethyl sulfoxide; at 130 ℃; for 3h;
DOI:10.1021/jm200688y

Reference yield:

: 95-54-5
1,2-diamino-benzene

: 475110-96-4
2-(2-difluoromethylbenzimidazol-1-yl)-4,6-dimorpholino-1,3,5-triazine

Guidance literature:: Multi-step reaction with 2 steps

1: hydrogenchloride / water / 1 h / Reflux

2: potassium carbonate / dimethyl sulfoxide / 3 h / 130 °C

With hydrogenchloride; potassium carbonate; In water; dimethyl sulfoxide;
DOI:10.1021/jm200688y