Ac-Exatecan

CAT: 0013-GTR19248910-04Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No

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CAT#:0013-GTR19248910-04Size:1 ml x 10 mM (in DMSO)

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Description

Ac-Exatecan is an acetylated derivative of the topoisomerase I inhibitor Exatecan (DX-8951), which exhibits antitumor activity with an IC50 of 2.2 μM. This compound is utilized in cancer research to study TOP1 inhibition and has been investigated in both in vitro cytotoxicity assays and in vivo tumor model studies.

CAS Number

2922852-48-8

Product Name Alternative

ADC Cytotoxin, ADCCytotoxin, Ac-DX-8951

Field of Research

Molecular Biology, Pharmacology & Drug Discovery

Purity

97.09% (May vary between batches)

Solubility

DMSO:80 mg/mL (167.55 mM)

Smiles

N (C (C) =O) [C@@H]1C2=C3C (C=4N (C3) C (=O) C5=C (C4) [C@] (CC) (O) C (=O) OC5) =NC=6C2=C (CC1) C (C) =C (F) C6

Molecular Formula

C26H24FN3O5

Molecular Weight

477.48

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Ac-Exatecan

CAS Number	2922852-48-8
PubChem CID	124411986
IUPAC Name	N-[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-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)-heptaen-23-yl]acetamide
Molecular Formula	C26H24FN3O5
Molecular Weight	477.5
XLogP	0.7
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Heavy Atom Count	35
Formal Charge	0
Complexity	1060

SMILES

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

InChI

InChI=1S/C26H24FN3O5/c1-4-26(34)16-7-20-23-14(9-30(20)24(32)15(16)10-35-25(26)33)22-18(28-12(3)31)6-5-13-11(2)17(27)8-19(29-23)21(13)22/h7-8,18,34H,4-6,9-10H2,1-3H3,(H,28,31)/t18-,26-/m0/s1

InChIKey

SRCUCWPOTBGIQM-QYBDOPJKSA-N

Chemical Structure

2D Structure

CAS: 2922852-48-8

CID: 124411986

Formula: C26H24FN3O5

MW: 477.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	477.5
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	2
Exact Mass	477.16999904
Monoisotopic Mass	477.16999904
Topological Polar Surface Area	109 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	1060
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

Related Products

Catalog	Name
GTR19205900-01	Exatecan
GTR19234516-01	Decyclohexanamine-Exatecan
GTR19249021-01	Exatecan hydrochloride
GTR19156999-01	Exatecan Mesylate
GTR19234365	CB07-Exatecan
GTR19281278-01	Glycyl-Exatecan
GTR19273288-01	GGFG-Exatecan
GTR19260335-01	Exatecan mesylate
GTR19280871-01	(9R) -Exatecan
GTR19274265-01	Exatecan-mpGNNG

Alternative Products

Catalog	Name
T77901-01	Ac-Exatecan
HY-79490S-01	Ac-Exatecan-d5
HY-43565C	(1S,9R) -Ac-Exatecan
T11249-01	Exatecan
BA2357-1	Decyclohexanamine-Exatecan
CS-O-47297	Exatecan Hydroxyacid
FE72401-01	Exatecan mesylate

Ac-Exatecan

Chemical Information

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