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Anticancer agent 214

CAT: 0013-GTR19233950-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19233950-03Size:100 mg
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Description
Anticanceragent 214 (2) is a potent camptothecin analog demonstrating low nanomolar IC50 values against breast cancer cell lines (2.6 nM in MCF-7; 15.7 nM in MDA-MB-231) . It is a valuable research tool for studying topoisomerase I inhibition in vitro and evaluating antitumor efficacy in preclinical cancer models.
CAS Number
2916404-95-8
Field of Research
Molecular Biology
Smiles
[C@@H] (C) (N) C1=C2C (C=3N (C2) C (=O) C4=C (C3) [C@] (CC) (O) C (=O) OC4) =NC=5C1=CC (C) =C (F) C5
Molecular Formula
C23H22FN3O4
Molecular Weight
423.44
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Anticancer agent 214
CAS Number2916404-95-8
PubChem CID171714302
IUPAC Name(19S)-10-[(1S)-1-aminoethyl]-19-ethyl-6-fluoro-19-hydroxy-7-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaene-14,18-dione
Molecular FormulaC23H22FN3O4
Molecular Weight423.4
XLogP0.7
Topological Polar Surface Area106
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Heavy Atom Count31
Formal Charge0
Complexity888
SMILES
CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C5=C(C=C(C(=C5)C)F)N=C4C3=C2)[C@H](C)N)O
InChI
InChI=1S/C23H22FN3O4/c1-4-23(30)15-6-18-20-13(8-27(18)21(28)14(15)9-31-22(23)29)19(11(3)25)12-5-10(2)16(24)7-17(12)26-20/h5-7,11,30H,4,8-9,25H2,1-3H3/t11-,23-/m0/s1
InChIKey
SUEUHWKTECCXOI-RULNZOCKSA-N
Chemical Structure
2D Structure
2D structure of Anticancer agent 214
CAS: 2916404-95-8
CID: 171714302
Formula: C23H22FN3O4
MW: 423.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight423.4
XLogP30.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count2
Exact Mass423.15943435
Monoisotopic Mass423.15943435
Topological Polar Surface Area106 Ų
Heavy Atom Count31
Formal Charge0
Complexity888
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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