Basic information
- CAS
726695-51-8- Standard SMILES
NCCNc1ncc(C(N)=O)c(Nc2cccc(C(F)(F)F)c2)n1- InChIKey
FQNFLNSVHWCZML-UHFFFAOYSA-N- Molecular formula
- C14H15F3N6O
- Average molar mass
- 340.3 g/mol
- Monoisotopic mass
- 340.12594361
Names & identifiers
- Preferred name
- Syk Inhibitor II
- IUPAC
- 2-(2-aminoethylamino)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
- English name
- Syk Inhibitor II
- Molecular formula
- C14H15F3N6O
- Molecular weight
- 340.3
Names & synonyms
Syk Inhibitor II726695-51-8K00592a2-(2-aminoethylamino)-4-[3-(trifluoromethyl)anilino]pyrimidine-5-carboxamideDHY3UC4XFH2-((2-Aminoethyl)amino)-4-((3-(trifluoromethyl)phenyl)amino)pyrimidine-5-carboxamideCHEMBL471901Spleen Tyrosine Kinase Inhibitor II2-(2-AMINOETHYL)AMINO-4-3-(TRIFLUOROMETHYL)PHENYLAMINO-2-((2-Aminoethyl)amino)-4-((3-(trifluoromethyl)phenyl)amino)-5-pyrimidinecarboxamide2-(2-Aminoethylamino)-4-(3-(trifluoromethyl)anilino)pyrimidine-5-carboxamide2-[(2-Aminoethyl)amino]-4-[[3-(trifluoromethyl)phenyl]amino]-5-pyrimidinecarboxamide
Show more names
Syk Inhibitor II, 10 mM in DMSOATP-competitive,Serotonin Receptor,antigen,inhibit,Spleen tyrosine kinase,Syk Inhibitor II,Anti-allergic,pyrimidine-carboxamide,Inhibitor,Syk,5-HT Receptor,5-hydroxytryptamine Receptor
2-[(2-aminoethyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrimidine-5-carboxamide5-Pyrimidinecarboxamide, 2-((2-aminoethyl)amino)-4-((3-(trifluoromethyl)phenyl)amino)-5-Pyrimidinecarboxamide, 2-[(2-aminoethyl)amino]-4-[[3-(trifluoromethyl)phenyl]amino]-UNII-DHY3UC4XFHGTPL6047orb1223064orb1302930SCHEMBL1222899
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 119 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 422
Physicochemical properties
- Melting point
- 270 · 270-272 °C (decomp)(Solv: water (7732-18-5); ethanol (64-17-5))
- Boiling point
- 541.6 · 541.6±60.0 °C(Predicted)
- Density
- 1.455 · 1.455±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 25 mg/ml; · DMF: 25 mg/ml; DMSO: 15 mg/ml
- form
- A crystalline solid
- pka
- 14.04 · 14.04±0.50(Predicted)
- color
- White to off-white
- FDA UNII
- 3 UC4XFH · DHY3UC4XFH
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
Chemistry & industry
Applications
UsesSyk Inhibitor II is a potent, high selective and ATP-competitive Syk inhibitor with an IC50 of 41 nM. Syk Inhibitor II inhibits 5-HT release from RBL-cells with an IC50 of 460 nM. Syk Inhibitor II shows less potent against other kinases and has anti-allergic effect[1].
Suppliers29 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
南通菡芳生物科技有限公司[email protected] 18017580634 · [email protected]
Advanced chemblocks inc650-6922368 650-6922368;650-6922368 · [email protected]
United Life Science020-82099279 18988941402 · [email protected]
InvivoChem中国13549236410 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海技毅生物科技有限公司13621943973 · [email protected]
晶墨(厦门)生物科技有限公司13621943973; 13621943973 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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