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CAY10773

CAT: 0013-GTR19191061-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19191061-01Size:1 mg
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Description
CAY10773, a sorafenib-derived ferroptosis inducer, selectively inhibits bladder cancer cell proliferation and induces concentration-dependent apoptosis or ferroptosis. It triggers ROS production, mitochondrial depolarization, and autophagy, making it a valuable research tool for studying cell death mechanisms in oncology.
CAS Number
1648546-79-5
Field of Research
Cell Biology
Smiles
N (CC1=CC (NC (NC2=CC (Cl) =C (Cl) C=C2) =O) =CC=C1) C=3C4=C (N=CN3) C=CC=C4
Molecular Formula
C22H17Cl2N5O
Molecular Weight
438.31
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Anticancer agent 251
CAS Number1648546-79-5
PubChem CID162672642
IUPAC Name1-(3,4-dichlorophenyl)-3-[3-[(quinazolin-4-ylamino)methyl]phenyl]urea
Molecular FormulaC22H17Cl2N5O
Molecular Weight438.3
XLogP5.2
Topological Polar Surface Area78.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity568
SMILES
C1=CC=C2C(=C1)C(=NC=N2)NCC3=CC(=CC=C3)NC(=O)NC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C22H17Cl2N5O/c23-18-9-8-16(11-19(18)24)29-22(30)28-15-5-3-4-14(10-15)12-25-21-17-6-1-2-7-20(17)26-13-27-21/h1-11,13H,12H2,(H,25,26,27)(H2,28,29,30)
InChIKey
UFOVWAAXBJCADF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 251
CAS: 1648546-79-5
CID: 162672642
Formula: C22H17Cl2N5O
MW: 438.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight438.3
XLogP35.2
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass437.0810156
Monoisotopic Mass437.0810156
Topological Polar Surface Area78.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity568
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

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