Basic information
- CAS
18694-40-1- Standard SMILES
COc1cc(C)nc(-n2nc(C)cc2OC)n1- InChIKey
RHAXSHUQNIEUEY-UHFFFAOYSA-N- Molecular formula
- C11H14N4O2
- Average molar mass
- 234.25 g/mol
- Monoisotopic mass
- 234.1116757
Overview
Epirizole is an aromatic ether.
Names & identifiers
- Preferred name
- Epirizole
- IUPAC
- 4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methylpyrimidine
- English name
- Epirizole
- Molecular formula
- C11H14N4O2
- Molecular weight
- 234.25
Names & synonyms
epirizoleMepirizole18694-40-1MebronMethopyrimazole4-Methoxy-2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)-6-methylpyrimidineDA-3984-Methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methylpyrimidineDTXSID40454223B46O2FH8IPyrimidine, 4-methoxy-2-(5-methoxy-3-methyl-1H-pyrazol-1-yl)-6-methyl-DTXCID2025422
Show more names
DalexEpirizole USP/EP/BPEpirizole, 10 mM in DMSO4-methoxy-2-(5-methoxy-3-methylpyrazol-1-yl)-6-methylpyrimidin
RefChem:590943242-507-1MepirizolEpirizolum [INN-Latin]Epirizol1-(4-Methoxy-6-methyl-2-pyrimidinyl)-3-methyl-5-methoxypyrazoleMLS0000288442-(3-Methoxy-5-methylpyrazol-2-yl)-4-methoxy-6-methylpyrimidine
Database identifiers
- CAS
18694-40-1- PubChem CID
- 3242
- DTXSID
DTXSID4045422- ChEMBL
CHEMBL1411693
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 254
Experimental & physicochemical properties
Drugs
Pharmaceuticals -> Listed in ZINC15
Pharmaceutical
LogP1.35
Solubility>35.1 [ug/mL] (The mean of the results at pH 7.4)
Melting Point90-92
Physicochemical properties
- Melting point
- 90 · 90-92°
- Boiling point
- 376.57 °C · 376.57°C (rough estimate)
- Density
- 1.1972 · 1.1972 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- storage temp.
- 2 · Sealed in dry,2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly)
- pka
- 0.65 · 0.65±0.50(Predicted)
- form
- Solid
- color
- White to off-white
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- wgk
- 3
- rtecs
- UV9290000
- Toxicity
- LD50 orally in mice: 820 mg/kg (Ogura)
- risk_code
- 20/21/22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- safety_code
- 26-36
- Hazard statements
- H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Anti-inflammatory agents that are non-steroidal in nature. In addition to anti-inflammatory actions, they have analgesic, antipyretic, and platelet-inhibitory actions. They act by blocking the synthesis of prostaglandins by inhibiting cyclooxygenase, which converts arachidonic acid to cyclic endoperoxides, precursors of prostaglandins. Inhibition of prostaglandin synthesis accounts for their analgesic, antipyretic, and platelet-inhibitory actions; other mechanisms may contribute to their anti-inflammatory effects.
Applications
UsesAnalgesic; anti-inflammatory.
UsesMepirizole induces precocious differentiation of insulin-producing ti-cells in larval zebrafish. Also, it increases the expression of MDR1 mRNA in Caco-2 cells; Non-acidic analgesic.
Upstream & downstream products
Upstream raw materials
Suppliers26 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海遐瑞医药科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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