Basic information
- CAS
202475-60-3- Standard SMILES
COc1cc2ncnc(Nc3ccc(O)cc3)c2cc1OC- InChIKey
HOZUXBLMYUPGPZ-UHFFFAOYSA-N- Molecular formula
- C16H15N3O3
- Average molar mass
- 297.31 g/mol
- Monoisotopic mass
- 297.11134135
Overview
a quinazoline derivative, inhibitor of glioblastoma cell adhesion and migration
Names & identifiers
- Preferred name
- Whi-p131
- IUPAC
- 4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenol
- English name
- JAK3 INHIBITOR I
- Molecular formula
- C16H15N3O3
- Molecular weight
- 297.31
Names & synonyms
WHI-P131Janex 1WHI P131RefChem:934207JANEX-1202475-60-34-((6,7-dimethoxyquinazolin-4-yl)amino)phenol4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenolMFCD018626144-(6,7-dimethoxyquinazolin-4-ylamino)phenol1J8Q49TR3I4-[(6,7-Dimethoxy-4-quinazolinyl)amino]phenol
Show more names
CS-2623WHI-P131, >98%JANEX-1 ，S5903JAK3 INHIBITOR IWHI-P131(Janex 1)JANEX-1, 10 mM in DMSOA JAK3 inhibitor WHI-P131
Phenol, 4-[(6,7-dimethoxy-4-quinazolinyl)amino]-CHEMBL405130WHI-P 1314-[(6,7-dimethoxy-4-quinazolinyl)amino]-phenolEX-A2590BDBM50227519s5903AC-35236
Database identifiers
- CAS
202475-60-3- PubChem CID
- 3794
- DTXSID
DTXSID301226692- ChEMBL
CHEMBL405130- UNII
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 76.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 350
Physicochemical properties
- Boiling point
- 468.1 · 468.1±40.0 °C(Predicted)
- Density
- 1.336 · 1.336±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Keep in dark place,Inert atmosphere,2-8°C
- solubility
- 18 mg/mL, · DMSO: 18 mg/mL, soluble
- form
- solid
- pka
- 10.06 · 10.06±0.26(Predicted)
- color
- yellow
- Stability
- 2 years · Stable for 2 years from date of purchase as supplied. Protect from moisture. Solutions in DMSO may be stored at -20°C for up to 2 months.
- InChI
- InChI=1S/C16H15N3O3/c1-21-14-7-12-13(8-15(14)22-2)17-9-18-16(12)19-10-3-5-11(20)6-4-10/h3-9,20H,1-2H3,(H,17,18,19)
- InChIKey
- HOZUXBLMYUPGPZ-UHFFFAOYSA-N
- SMILES
- C1(O)=CC=C(NC2=C3C(=NC=N2)C=C(OC)C(OC)=C3)C=C1
- FDA UNII
- 1 J8Q49TR3I · 1J8Q49TR3I
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
DescriptionWHI-P131 (202475-60-3) is a JAK3 inhibitor.Inhibits human glioblastoma cell adhesion and invasion.1 Increases survival in a mouse ALS model.2 Delays or prevents autoimmune type 1 diabetes in NOD mice.3 Exhibits potent anti-inflammatory activity in mouse models of peritonitis, colitis, cellulitis and systemic inflammatory response syndrome.4 Displays protective effects against myocardial ischemia and reperfusion injury in mouse models.5
UsesJanex 1 is a Janus tyrosine kinase 3 (JAK3) inhibitor. Inhibition of JAK3 has been shown to exhibit protective action against the development of T1D in non-obese diabetic (NOD) mice. Janex 1 has been shown to suppresses proliferation of short-term cultured NOD CD4+ T cells through induction of apoptosis, while promoting survival of a particular population of long-term cultured cells. It ameliorates the expression of TNF-α-induced cell adhesion molecules and improves myocardial vascular permeability.
Upstream & downstream products
Upstream raw materials
Suppliers94 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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