Products for Research Use Only
RegisterLogin

DZD1516

CAT: 0013-GTR19218714-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0013-GTR19218714-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
DZD1516 is a potent and selective HER2 inhibitor with an IC50 of 0.56 nM. It demonstrates good blood-brain barrier permeability and has shown antitumor efficacy in both CNS and subcutaneous xenograft mouse models, supporting its investigation for HER2-positive cancers.
CAS Number
2387570-00-3
Field of Research
Cardiovascular Research, Signal Transduction
Smiles
O (C=1C=2C (NC3=CC (C) =C (OC4=CC=5N (C=C4) N=CN5) C=C3) =NC=NC2C=C (OC) C1) [C@@H]6C (F) (F) CN (C) CC6
Molecular Formula
C28H27F2N7O3
Molecular Weight
547.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CAS Number2387570-00-3
PubChem CID146241657
IUPAC Name5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
Molecular FormulaC28H27F2N7O3
Molecular Weight547.6
XLogP5
Topological Polar Surface Area98.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Heavy Atom Count40
Formal Charge0
Complexity846
SMILES
CC1=C(C=CC(=C1)NC2=NC=NC3=C2C(=CC(=C3)OC)O[C@H]4CCN(CC4(F)F)C)OC5=CC6=NC=NN6C=C5
InChI
InChI=1S/C28H27F2N7O3/c1-17-10-18(4-5-22(17)39-19-6-9-37-25(13-19)32-16-34-37)35-27-26-21(31-15-33-27)11-20(38-3)12-23(26)40-24-7-8-36(2)14-28(24,29)30/h4-6,9-13,15-16,24H,7-8,14H2,1-3H3,(H,31,33,35)/t24-/m0/s1
InChIKey
IDQNCHCNBVCUHC-DEOSSOPVSA-N
Chemical Structure
2D Structure
2D structure of 5-[(4S)-3,3-difluoro-1-methylpiperidin-4-yl]oxy-7-methoxy-N-[3-methyl-4-([1,2,4]triazolo[1,5-a]pyridin-7-yloxy)phenyl]quinazolin-4-amine
CAS: 2387570-00-3
CID: 146241657
Formula: C28H27F2N7O3
MW: 547.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.6
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count11
Rotatable Bond Count7
Exact Mass547.21434407
Monoisotopic Mass547.21434407
Topological Polar Surface Area98.9 Ų
Heavy Atom Count40
Formal Charge0
Complexity846
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-155079-01DZD1516
HY-155079A-01(R) -DZD1516

Popular Products