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CAY10773

CAT: 0931-T36882-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T36882-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1648546-79-5
Target
Others, Autophagy, Ferroptosis, Apoptosis
Related Pathways
Others, Apoptosis, Autophagy
Bioactivity
CAY10773 is a derivative of the ferroptosis inducer sorafenib .1It selectively inhibits proliferation of BEL-7402, MGC803, and T24 bladder cancer cells (IC50s = 5.77, 5.21 and 3.97 μM, respectively) over non-cancerous HCV-29 cells (IC50= 23.19 μM) . CAY10773 induces apoptosis in T24 cells when used at concentrations ranging from 2 to 6 μM but induces ferroptosis at concentrations greater than or equal to 6 μM with 10 hour or longer incubation times. It increases the production of reactive oxygen species (ROS) and decreases the mitochondrial membrane potential in T24 cells. CAY10773 (≥6 μM) also induces autophagy with incubation times longer than eight hours.
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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CatalogName
GTR19191061-01CAY10773

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