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FLQY2

CAT: 0931-T89026-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T89026-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
794512-88-2
Bioactivity
FLQY2, a camptothecin analogue, exhibits remarkable antitumor efficacy against various solid tumors. This compound demonstrates both in vivo and in vitro activity against pancreatic cancer, inhibiting cell proliferation, colony formation at nanomolar concentrations, inducing apoptosis (Apoptosis), and causing cell cycle arrest.
Smiles
O=C1N2CC3=C(C=4C(N=C3C2=CC5=C1COC(=O)[C@@]5(CC)O)=CC6=C(C4)OCO6)C7=CC=C(C(F)(F)F)C=C7
Molecular Formula
C28H19F3N2O6
Molecular Weight
536.46
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(5S)-5-ethyl-5-hydroxy-14-[4-(trifluoromethyl)phenyl]-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione
CAS Number794512-88-2
PubChem CID44395040
IUPAC Name(5S)-5-ethyl-5-hydroxy-14-[4-(trifluoromethyl)phenyl]-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione
Molecular FormulaC28H19F3N2O6
Molecular Weight536.5
XLogP3.3
Topological Polar Surface Area98.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Heavy Atom Count39
Formal Charge0
Complexity1130
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC6=C(C=C5N=C4C3=C2)OCO6)C7=CC=C(C=C7)C(F)(F)F)O
InChI
InChI=1S/C28H19F3N2O6/c1-2-27(36)18-8-20-24-16(10-33(20)25(34)17(18)11-37-26(27)35)23(13-3-5-14(6-4-13)28(29,30)31)15-7-21-22(39-12-38-21)9-19(15)32-24/h3-9,36H,2,10-12H2,1H3/t27-/m0/s1
InChIKey
WLSIGMVEGURPOY-MHZLTWQESA-N
Chemical Structure
2D Structure
2D structure of (5S)-5-ethyl-5-hydroxy-14-[4-(trifluoromethyl)phenyl]-7,18,20-trioxa-11,24-diazahexacyclo[11.11.0.02,11.04,9.015,23.017,21]tetracosa-1(24),2,4(9),13,15,17(21),22-heptaene-6,10-dione
CAS: 794512-88-2
CID: 44395040
Formula: C28H19F3N2O6
MW: 536.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight536.5
XLogP33.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count2
Exact Mass536.11952082
Monoisotopic Mass536.11952082
Topological Polar Surface Area98.2 Ų
Heavy Atom Count39
Formal Charge0
Complexity1130
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

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CatalogName
HY-162763FLQY2

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