Basic information
- CAS
223104-29-8- Standard SMILES
CCOc1ccc(Oc2ccc(OCc3cc(F)ccc3F)cc2)c(N)c1- InChIKey
YSUBLPUJDOWYDP-UHFFFAOYSA-N- Molecular formula
- C21H19F2NO3
- Average molar mass
- 371.4 g/mol
- Monoisotopic mass
- 371.13329979
Overview
SEA0400 is an organic molecular entity. It has a role as an inhibitor.
Names & identifiers
- Preferred name
- Sea-0400
- IUPAC
- 2-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-5-ethoxyaniline
- English name
- SEA-0400
- Molecular formula
- C21H19F2NO3
- Molecular weight
- 371.38
Names & synonyms
SEA0400223104-29-8SEA-0400SEA 04002-[4-[(2,5-difluorophenyl)methoxy]phenoxy]-5-ethoxyaniline2-{4-[(2,5-difluorophenyl)methoxy]phenoxy}-5-ethoxyanilineDTXSID003492692-(4-((2,5-difluorophenyl)methoxy)phenoxy)-5-ethoxyanilineRefChem:182106DTXCID103003412-(4-((2,5-DIFLUOROBENZYL)OXY)PHENOXY)-5-ETHOXYANILINEMFCD07772188
Show more names
CS-1043SEA0400 >=98% (HPLC)SEA0400, 10 mM in DMSO2-[4-[(2,5-Difluorophenyl)methoxy]phenoxy]-5-ethoxybenzenamineBenzenaMine, 2-[4-[(2,5-difluorophenyl)Methoxy]phenoxy]-5-ethoxy-
2-[4-[(2,5-Difluorobenzyl)oxy]phenoxy]-5-ethoxyanilineGTPL4617EX-A950AC-33129HY-155152-(4-(2,5-difluorobenzyloxy)phenoxy)-5-ethoxyanilineQ270887712-{4-[(2,5-Difluorobenzyl)oxy]phenoxy}-5-ethoxyaniline
Database identifiers
- CAS
223104-29-8- PubChem CID
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 53.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 434
Physicochemical properties
- Boiling point
- 485 · 485.0±45.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
- solubility
- 2 O; · insoluble in H2O; ≥18.57 mg/mL in DMSO; ≥46.4 mg/mL in EtOH with ultrasonic
- form
- solid
- pka
- 4.04 · 4.04±0.10(Predicted)
- color
- White to khaki
- InChI
- 1S/C21H19F2NO3/c1-2-25-18-8-10-21(20(24)12-18)27-17-6-4-16(5-7-17)26-13-14-11-15(22)3-9-19(14)23/h3-12H,2,13,24H2,1H3
- InChIKey
- YSUBLPUJDOWYDP-UHFFFAOYSA-N
- SMILES
- CCOC1=CC=C(OC2=CC=C(OCC3=C(F)C=CC(F)=C3)C=C2)C(N)=C1
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
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
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
DescriptionSEA0400 is a selective inhibitor of the Na+/Ca2+ exchanger (IC50s = 5, 8.3, and 33 nM for inhibiting Na+-dependent Ca2+ uptake in rat astrocyte, microglia, and cortical neuron cell lines, respectively). It is reported to prevent dopaminergic neurotoxicity in an MPTP mouse model of Parkinson''s disease and to attenuate reperfusion injury in both in vitro and in vivo cerebral ischemic models.
UsesSEA 0400 is a novel and selective inhibitor of Na+-Ca2+ exchanger.
Suppliers77 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海冬洋生物科技有限公司0512-13601744364 13601744364 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
上海波以尔化工有限公司[email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
Related reactions
2 records
Compound notes
Loading…