Products for Research Use Only

GNS-1481

CAT: 0013-GTR19242260-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19242260-02Size:50 mg
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Description
GNS-1481 is a selective small molecule inhibitor designed to target the EGFR T790M resistance mutation. It is a research tool for studying resistance mechanisms in non-small cell lung cancer (NSCLC) and has demonstrated activity in both biochemical and cellular assays.
CAS Number
1903008-81-0
Smiles
O=C (C=C) NC1=CC (NC2=NC=CC (=N2) N3N=C (C (=C3) CN (C) C) C4CC4) =C (OC) C=C1N5CCOCC5
Molecular Formula
C27H34N8O3
Molecular Weight
518.61
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(5-(4-(3-cyclopropyl-4-((dimethylamino)methyl)-1H-pyrazol-1-yl)pyrimidin-2-ylamino)-4-methoxy-2-morpholinophenyl)acrylamide
CAS Number1903008-81-0
PubChem CID121269056
IUPAC NameN-[5-[[4-[3-cyclopropyl-4-[(dimethylamino)methyl]pyrazol-1-yl]pyrimidin-2-yl]amino]-4-methoxy-2-morpholin-4-ylphenyl]prop-2-enamide
Molecular FormulaC27H34N8O3
Molecular Weight518.6
XLogP2.3
Topological Polar Surface Area110
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Heavy Atom Count38
Formal Charge0
Complexity792
SMILES
CN(C)CC1=CN(N=C1C2CC2)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N5CCOCC5)OC
InChI
InChI=1S/C27H34N8O3/c1-5-25(36)29-20-14-21(23(37-4)15-22(20)34-10-12-38-13-11-34)30-27-28-9-8-24(31-27)35-17-19(16-33(2)3)26(32-35)18-6-7-18/h5,8-9,14-15,17-18H,1,6-7,10-13,16H2,2-4H3,(H,29,36)(H,28,30,31)
InChIKey
SEKXPOMGSBSXQJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(5-(4-(3-cyclopropyl-4-((dimethylamino)methyl)-1H-pyrazol-1-yl)pyrimidin-2-ylamino)-4-methoxy-2-morpholinophenyl)acrylamide
CAS: 1903008-81-0
CID: 121269056
Formula: C27H34N8O3
MW: 518.6
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight518.6
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count10
Exact Mass518.27538698
Monoisotopic Mass518.27538698
Topological Polar Surface Area110 Ų
Heavy Atom Count38
Formal Charge0
Complexity792
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