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Alflutinib

CAT: 0013-GTR19172843-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19172843-02Size:5 mg
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Description
Alflutinib (Firmonertinib) is a small molecule EGFR inhibitor targeting both activating mutations and the T790M resistance mutation. It is used in research applications, including in vitro and in vivo studies, to investigate its antitumor efficacy in models of non-small cell lung cancer (NSCLC) .
CAS Number
1869057-83-9
Product Name Alternative
CYP3A4, Alflutinib, cancer, ASK 120067, ASK120067, ASK-120067, AST 2818, AST2818, AST-2818, esistant mutation, Furmonertinib, ErbB-1, Epidermal growth factor receptor, EGFR, Firmonertinib, Inhibitor, HER1, inhibit, NSCLC, T790M
Field of Research
Cardiovascular Research, Metabolism Research, Signal Transduction
Purity
99.61% (May vary between batches)
Solubility
DMSO:10.83 mg/mL (19.05 mM)
Smiles
CN1C=C (C=2C1=CC=CC2) C3=NC (NC4=C (OCC (F) (F) F) N=C (N (CCN (C) C) C) C (NC (C=C) =O) =C4) =NC=C3
Molecular Formula
C28H31F3N8O2
Molecular Weight
568.59
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Alflutinib

Alflutinib is under investigation in clinical trial NCT03452592 (Efficacy and Safety of Alflutinib in Locally Advanced or Metastatic Non-small Cell Lung Cancer Patients With T790M).

CAS Number1869057-83-9
PubChem CID118861389
IUPAC NameN-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]prop-2-enamide
Molecular FormulaC28H31F3N8O2
Molecular Weight568.6
XLogP4.4
Topological Polar Surface Area100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Heavy Atom Count41
Formal Charge0
Complexity865
SMILES
CN1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(N=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OCC(F)(F)F
InChI
InChI=1S/C28H31F3N8O2/c1-6-24(40)33-21-15-22(26(41-17-28(29,30)31)36-25(21)38(4)14-13-37(2)3)35-27-32-12-11-20(34-27)19-16-39(5)23-10-8-7-9-18(19)23/h6-12,15-16H,1,13-14,17H2,2-5H3,(H,33,40)(H,32,34,35)
InChIKey
GHKOONMJXNWOIW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Alflutinib
CAS: 1869057-83-9
CID: 118861389
Formula: C28H31F3N8O2
MW: 568.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight568.6
XLogP34.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count11
Rotatable Bond Count11
Exact Mass568.25220675
Monoisotopic Mass568.25220675
Topological Polar Surface Area100 Ų
Heavy Atom Count41
Formal Charge0
Complexity865
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3846839-01Alflutinib
T7175-01Alflutinib mesylate
A22316-5Alflutinib 5mg
A22316-10Alflutinib 10mg
C12275-01Alflutinib (Furmonertinib) mesylate
MBS3603393-01Alflutinib methanesulfonate
A22316-1Alflutinib 1mg
A22316-50Alflutinib (Firmonertinib) 50mg
A22316-100Alflutinib (Firmonertinib) 100mg
A22316-25Alflutinib (Firmonertinib) 25mg

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