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NS-062

CAT: 0013-GTR19240332-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240332-01Size:10 mg
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Description
NS-062 is an irreversible covalent EGFR inhibitor with potent activity against resistant mutations. It demonstrates in vitro antiproliferative efficacy in H1975 cells (IC50 = 0.19 μM) and has shown in vivo antitumor activity in a murine H1975 xenograft model, supporting its use in oncology research for studying EGFR-driven resistance.
CAS Number
2226257-92-5
Field of Research
Cardiovascular Research, Infectious Disease & Virology, Signal Transduction
Smiles
N (C=1C2=C (C=C (OCCCN3CCOCC3) C (NC (=O) [C@@H]4N (C (C (Cl) F) =O) CCC4) =C2) N=CN1) C5=CC (Cl) =C (F) C=C5
Molecular Formula
C28H30Cl2F2N6O4
Molecular Weight
623.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2R)-1-(2-chloro-2-fluoroacetyl)-N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]pyrrolidine-2-carboxamide
CAS Number2226257-92-5
PubChem CID134827850
IUPAC Name(2R)-1-(2-chloro-2-fluoroacetyl)-N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]pyrrolidine-2-carboxamide
Molecular FormulaC28H30Cl2F2N6O4
Molecular Weight623.5
XLogP4.5
Topological Polar Surface Area109
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Heavy Atom Count42
Formal Charge0
Complexity908
SMILES
C1C[C@@H](N(C1)C(=O)C(F)Cl)C(=O)NC2=C(C=C3C(=C2)C(=NC=N3)NC4=CC(=C(C=C4)F)Cl)OCCCN5CCOCC5
InChI
InChI=1S/C28H30Cl2F2N6O4/c29-19-13-17(4-5-20(19)31)35-26-18-14-22(36-27(39)23-3-1-7-38(23)28(40)25(30)32)24(15-21(18)33-16-34-26)42-10-2-6-37-8-11-41-12-9-37/h4-5,13-16,23,25H,1-3,6-12H2,(H,36,39)(H,33,34,35)/t23-,25?/m1/s1
InChIKey
CNRKPZFTXUAKCP-XQZUBTRRSA-N
Chemical Structure
2D Structure
2D structure of (2R)-1-(2-chloro-2-fluoroacetyl)-N-[4-(3-chloro-4-fluoroanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]pyrrolidine-2-carboxamide
CAS: 2226257-92-5
CID: 134827850
Formula: C28H30Cl2F2N6O4
MW: 623.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight623.5
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count10
Exact Mass622.1673652
Monoisotopic Mass622.1673652
Topological Polar Surface Area109 Ų
Heavy Atom Count42
Formal Charge0
Complexity908
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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