Basic information
- CAS
879127-07-8- Standard SMILES
O=C(Nc1cccc(Nc2cc(Nc3cccc(C(F)(F)F)c3)ncn2)c1)C1CC1- InChIKey
YOHYSYJDKVYCJI-UHFFFAOYSA-N- Molecular formula
- C21H18F3N5O
- Average molar mass
- 413.4 g/mol
- Monoisotopic mass
- 413.1463447
Overview
Epidermal Growth Factor Receptor Tyrosine Kinase Inhibitor is any agent that inhibits the activity of the epidermal growth factor receptor (EGFR) tyrosine kinase.
Names & identifiers
- Preferred name
- EGFR inhibitor
- IUPAC
- N-[3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
- English name
- EGFR inhibitor
- Molecular formula
- C21H18F3N5O
- Molecular weight
- 413.4
Names & synonyms
EGFR Inhibitor879127-07-8N-(3-((6-((3-(Trifluoromethyl)phenyl)amino)pyrimidin-4-yl)amino)phenyl)cyclopropanecarboxamideDTXSID40429554N-{3-[(6-{[3-(trifluoromethyl)phenyl]amino}pyrimidin-4-yl)amino]phenyl}cyclopropanecarboxamideN-[3-[[6-[[3-(trifluoromethyl)phenyl]amino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamideEGFR BlockerEGFR-TK InhibitorRefChem:136350EGFR Tyrosine Kinase InhibitorEGFR Tyrosine Kinase InhibitorsDTXCID30380387
Show more names
EGFR inhibitor(YUN27078)EGFR-IN-12, 10 mM in DMSOEGFR-IN-12 (EGFR Inhibitor)EGFR Inhibitor [879127-07-8]EGFR Inhibitor [879127-07-8] - EGFR Inhibitor 324674CyclopropanecarboxaMide, N-[3-[[6-[[3-(trifluoroMethyl)phenyl]aMino]-4-pyriMidinyl]aMino]phenyl]-
Epidermal Growth Factor Receptor InhibitorEpidermal Growth-Factor Receptor InhibitorsEPIDERMAL GROWTH FACTOR RECEPTOR TYROSINE KINASE INHIBITOREGFR-IN-12N-[3-[[6-[3-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamideEGFR Inhibitor 324674CHEMBL387187MFCD13191284
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 585
Physicochemical properties
- Boiling point
- 605.9 · 605.9±55.0 °C(Predicted)
- Density
- 1.456 · 1.456±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Store at -20°C
- solubility
- 2 O; · insoluble in H2O; insoluble in EtOH; ≥60.7 mg/mL in DMSO
- form
- crystalline solid
- pka
- 14.5 · 14.50±0.70(Predicted)
- color
- Off-white to light yellow
- InChI
- 1S/C21H18F3N5O/c22-21(23,24)14-3-1-4-15(9-14)27-18-11-19(26-12-25-18)28-16-5-2-6-17(10-16)29-20(30)13-7-8-13/h1-6,9-13H,7-8H2,(H,29,30)(H2,25,26,27,28)
- InChIKey
- YOHYSYJDKVYCJI-UHFFFAOYSA-N
- SMILES
- FC(F)(F)c1cc(ccc1)Nc2ncnc(c2)Nc3cc(ccc3)NC(=O)C4CC4
- NCI Dictionary of Cancer Terms
- EGFR inhibitor
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 77 · NA.77
- Symbol(GHS)
- 7 · GHS07
- Signal word
Safety & regulation
Safety data
- wgk
- WGK 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Applications
UsesEGFR Inhibitor is a highly selective, cell-permeable EGFR inhibitor.
Suppliers46 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海乾豪生物科技有限公司13524877553
上海冬洋生物科技有限公司0512-13601744364 13601744364
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Nantong HI-FUTURE Biology Co., Ltd.+86-18051384581 · [email protected]
大连美仑生物技术有限公司0411-62910999 13889544652 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [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]
VDM Biochemicals0330-2528181 · [email protected]
Related reactions
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Compound notes
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