Products for Research Use Only
RegisterLogin

Anticancer agent 120

CAT: 0931-T85669-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T85669-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2928614-22-4
Target
Apoptosis, Reactive Oxygen Species, Antibacterial
Related Pathways
NF-κB, Microbiology/Virology, Immunology/Inflammation, Metabolism, Apoptosis
Bioactivity
Anticancer agent 120 (compound 21), an N-acylated derivative of ciprofloxacin, exhibits antibacterial activity and promotes cancer cell apoptosis by inducing ROS [1].
Smiles
O=C1C=2C(N(C=C1C(O)=O)C3CC3)=CC(=C(F)C2)N4CCN(C(CCCCCCCCCCN5CCN(CC5)C=6C=C7N(C=C(C(O)=O)C(=O)C7=CC6F)C8CC8)=O)CC4
Molecular Formula
C45H54F2N6O7
Molecular Weight
828.94
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Anticancer agent 120
CAS Number2928614-22-4
PubChem CID170901894
IUPAC Name7-[4-[11-[4-(3-carboxy-1-cyclopropyl-6-fluoro-4-oxoquinolin-7-yl)piperazin-1-yl]-11-oxoundecyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carboxylic acid
Molecular FormulaC45H54F2N6O7
Molecular Weight828.9
XLogP5.8
Topological Polar Surface Area145
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Heavy Atom Count60
Formal Charge0
Complexity1670
SMILES
C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CCCCCCCCCCC(=O)N5CCN(CC5)C6=C(C=C7C(=C6)N(C=C(C7=O)C(=O)O)C8CC8)F)F)C(=O)O
InChI
InChI=1S/C45H54F2N6O7/c46-35-23-31-37(52(29-10-11-29)27-33(42(31)55)44(57)58)25-39(35)49-17-15-48(16-18-49)14-8-6-4-2-1-3-5-7-9-41(54)51-21-19-50(20-22-51)40-26-38-32(24-36(40)47)43(56)34(45(59)60)28-53(38)30-12-13-30/h23-30H,1-22H2,(H,57,58)(H,59,60)
InChIKey
CEWOIBGTDPNTDJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 120
CAS: 2928614-22-4
CID: 170901894
Formula: C45H54F2N6O7
MW: 828.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight828.9
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count14
Rotatable Bond Count17
Exact Mass828.40220441
Monoisotopic Mass828.40220441
Topological Polar Surface Area145 Ų
Heavy Atom Count60
Formal Charge0
Complexity1670
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

Related Products

CatalogName
T210648-01Anticancer agent 274
T210037-01Anticancer agent 239
T210028-01Anticancer agent 221
T209840-01Anticancer agent 213
T209412-01Anticancer agent 189
T209339-01Anticancer agent 196
T209334-01Anticancer agent 195
T206688-01Anticancer agent 270
T206158-01Anticancer agent 268
T205406-01Anticancer agent 266

Alternative Products

CatalogName
C8452-10Anticancer agent 43
HY-179298Anticancer agent 283
HY-178937Anticancer agent 284
HY-175598Anticancer agent 278
HY-174392Anticancer agent 275
HY-173075Anticancer agent 267
HY-172784Anticancer agent 273
HY-169907Anticancer agent 258
HY-169906Anticancer agent 257
HY-155158Anticancer agent 147

Popular Products