Exatecan

CAT: 1568-C03554-04Size: 1 gDry Ice: NoHazardous: No

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CAT#:1568-C03554-04Size:1 g

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

171335-80-1

Synonyms

DX-8951

SKU

C03554-5mg

Target

Topoisomerase

Applications

DNA Damage/DNA Repair

Additionnal Information

Exatecan (DX-8951), is a water-soluble derivative of camptothecin. It acts as an inhibitor of DNA topoisomerase I with an IC50 value of 1.906 μM. It demonstrates potent antitumor effects and triggers apoptotic cell death after treatment in human pancreatic cancer cells.

Chemical Information

Exatecan

Exatecan is a pyranoindolizinoquinoline.

CAS Number	171335-80-1
PubChem CID	151115
IUPAC Name	(10S,23S)-23-amino-10-ethyl-18-fluoro-10-hydroxy-19-methyl-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaene-5,9-dione
Molecular Formula	C24H22FN3O4
Molecular Weight	435.4
XLogP	0.4
Topological Polar Surface Area	106
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	32
Formal Charge	0
Complexity	950

SMILES

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C5[C@H](CCC6=C5C(=CC(=C6C)F)N=C4C3=C2)N)O

InChI

InChI=1S/C24H22FN3O4/c1-3-24(31)14-6-18-21-12(8-28(18)22(29)13(14)9-32-23(24)30)19-16(26)5-4-11-10(2)15(25)7-17(27-21)20(11)19/h6-7,16,31H,3-5,8-9,26H2,1-2H3/t16-,24-/m0/s1

InChIKey

ZVYVPGLRVWUPMP-FYSMJZIKSA-N

Chemical Structure

2D Structure

CAS: 171335-80-1

CID: 151115

Formula: C24H22FN3O4

MW: 435.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	435.4
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	435.15943435
Monoisotopic Mass	435.15943435
Topological Polar Surface Area	106 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	950
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T11249-01	Exatecan
BA2357-1	Decyclohexanamine-Exatecan
CS-O-47297	Exatecan Hydroxyacid
FE72401-01	Exatecan mesylate
HY-156617-01	Cyclopropaneacetamide-Exatecan
T77901-01	Ac-Exatecan
HY-160015-01	CB07-Exatecan
A11231-500	Exatecan 500mg
A11231-25	Exatecan 25mg
A11231-10	Exatecan 10mg

Exatecan

Chemical Information

Alternative Products

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