Top1 inhibitor 1

CAT: 0931-T13183-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T13183-01Size:25 mg

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

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CAS Number

2302772-05-8

Target

Topoisomerase, ADC Cytotoxin

Related Pathways

Antibody-drug Conjugate/ADC Related, DNA Damage/DNA Repair

Bioactivity

Top1 inhibitor 1 is a potent inhibitor of human topoisomerase I (Top1) (IC50: 29 nM) .

Smiles

N(CCCN1C=CN=C1)C=2C3=C(N=CC2C4=NN=CO4)C=CC(=C3)C5=CC=C(OC)C=C5

Molecular Formula

C24H22N6O2

Molecular Weight

426.47

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Top1 inhibitor 1

CAS Number	2302772-05-8
PubChem CID	138377597
IUPAC Name	N-(3-imidazol-1-ylpropyl)-6-(4-methoxyphenyl)-3-(1,3,4-oxadiazol-2-yl)quinolin-4-amine
Molecular Formula	C24H22N6O2
Molecular Weight	426.5
XLogP	3.3
Topological Polar Surface Area	90.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Heavy Atom Count	32
Formal Charge	0
Complexity	575

SMILES

COC1=CC=C(C=C1)C2=CC3=C(C(=CN=C3C=C2)C4=NN=CO4)NCCCN5C=CN=C5

InChI

InChI=1S/C24H22N6O2/c1-31-19-6-3-17(4-7-19)18-5-8-22-20(13-18)23(21(14-27-22)24-29-28-16-32-24)26-9-2-11-30-12-10-25-15-30/h3-8,10,12-16H,2,9,11H2,1H3,(H,26,27)

InChIKey

FXLATWFKCKZBKI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2302772-05-8

CID: 138377597

Formula: C24H22N6O2

MW: 426.5

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	426.5
XLogP3	3.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	8
Exact Mass	426.18042397
Monoisotopic Mass	426.18042397
Topological Polar Surface Area	90.9 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	575
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
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
T200315-01	Top1/2-IN-1
T206637-01	Top1-IN-2
TMAH-01197-01	Anti-TOP1 Antibody (9S687)
TMAC-04087-01	Anti-TOP1 Antibody (4H437)
TMPY-06949-01	TOP1 Protein, Mouse, Recombinant (His)
TMPY-05301-01	TOP1 Protein, Human, Recombinant (His)
T67928-01	NDH-1 inhibitor-1
T79903	Sirtuin-1 inhibitor 1
T86530-01	GSTP1-1 inhibitor 1
T22081-01	FBPase-1 inhibitor-1

Alternative Products

Catalog	Name
GTR19204607-01	Top1 inhibitor 1
A13304-1	Top1 inhibitor 1 1mg
A13304-100	Top1 inhibitor 1 100mg
A13304-25	Top1 inhibitor 1 25mg
A13304-5	Top1 inhibitor 1 5mg
A13304-50	Top1 inhibitor 1 50mg
A13304-10	Top1 inhibitor 1 10mg
529210-01	TOP1
70R-10227	TOP1 antibody
HY-159935	Top1-IN-2

Top1 inhibitor 1

Chemical Information

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