Basic information
- CAS
955881-01-3- Standard SMILES
Cn1ccc(NC(=O)c2cc(Oc3ccc(C(=O)N4CCC4)c(F)c3)c3c(c2)OC(C)(C)C3)n1- InChIKey
MDMLUBFZTGYEGP-UHFFFAOYSA-N- Molecular formula
- C25H25FN4O4
- Average molar mass
- 464.5 g/mol
Names & identifiers
- Preferred name
- 4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide
- IUPAC
- 4-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamide
- English name
- PF 04279405
- Molecular formula
- C25H25FN4O4
- Molecular weight
- 464.49
Names & synonyms
PF-04279405955881-01-34-[4-(azetidine-1-carbonyl)-3-fluorophenoxy]-2,2-dimethyl-N-(1-methylpyrazol-3-yl)-3H-1-benzofuran-6-carboxamideSCHEMBL642833orb1741237CHEMBL3218477MDMLUBFZTGYEGP-UHFFFAOYSA-NFNB88101EX-A13855EBC-500076NCGC00485403-014-[4-(1-Azetidinylcarbonyl)-3-fluorophenoxy]-2,3-dihydro-2,2-dimethyl-N-(1-methyl-1H-pyrazol-3-yl)-6-benzofurancarboxamide
Show more names
PF 042794056-Benzofurancarboxamide, 4-[4-(1-azetidinylcarbonyl)-3-fluorophenoxy]-2,3-dihydro-2,2-dimethyl-N-(1-methyl-1H-pyrazol-3-yl)-
HY-136631CS-0132720T682444-[4-(azetidine-1-carbonyl)-3-fluoro-phenoxy]-2,2-dimethyl-2,3-dihydro-benzofuran-6-carboxylic acid (1-methyl-1H-pyrazol-3-yl)-amide4-[4-(azetidine-1-carbonyl)-3-fluoro-phenoxy]-2,2-dimethyl-2,3-dihydro-benzofuran-6-carboxylic acid(1-methyl-1H-pyrazol-3-yl)-amide
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 85.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 778
Physicochemical properties
- storage temp.
- room temp
- solubility
- 10 mg/mL, · DMSO: soluble10mg/mL, clear
- form
- powder
- color
- white to beige
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26
- WGK Germany
- 3 · 3
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesPF-04279405 is a potent and full-acting glucokinase (GK) agonist (EC50=23 nM). Glucokinase (GK) is an enzyme responsible for the conversion of glucose to glucose-6-phosphate and plays a key role in maintaining blood glucose homeostasis. PF-04279405 can be used in the research of type 2 diabetes[1].
Suppliers4 total
上海美洛英特化学有限公司15821661757 · [email protected]
北京百奥创新科技有限公司15522676233 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
2 records
Compound notes
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