NU5455

CAT: 0931-T64204-03Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-T64204-03Size:100 mg

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

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CAS Number

1257235-99-6

Target

Others, DNA-PK

Related Pathways

Others, PI3K/Akt/mTOR signaling, DNA Damage/DNA Repair

Bioactivity

NU5455 is a selective, potent, orally active inhibitor of DNA-PKcs. It enhances the efficacy of locally released doxorubicin in liver tumor xenografts without causing adverse effects and also enhances the efficacy and toxicity of parenterally administered topoisomerase inhibitors.

Smiles

N(C(CN1CCOCC1)=O)(C)C=2C=C3C=4C(=C(C=CC4)C5=C6C(C(=O)C=C(O6)N7CC8OC(C7)CC8)=CC=C5)SC3=CC2

Molecular Formula

C34H33N3O5S

Molecular Weight

595.71

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

N-methyl-2-morpholin-4-yl-N-[6-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-oxochromen-8-yl]dibenzothiophen-2-yl]acetamide

CAS Number	1257235-99-6
PubChem CID	68758901
IUPAC Name	N-methyl-2-morpholin-4-yl-N-[6-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-oxochromen-8-yl]dibenzothiophen-2-yl]acetamide
Molecular Formula	C34H33N3O5S
Molecular Weight	595.7
XLogP	5.2
Topological Polar Surface Area	99.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	43
Formal Charge	0
Complexity	1090

SMILES

CN(C1=CC2=C(C=C1)SC3=C2C=CC=C3C4=CC=CC5=C4OC(=CC5=O)N6CC7CCC(C6)O7)C(=O)CN8CCOCC8

InChI

InChI=1S/C34H33N3O5S/c1-35(31(39)20-36-12-14-40-15-13-36)21-8-11-30-28(16-21)26-6-3-5-25(34(26)43-30)24-4-2-7-27-29(38)17-32(42-33(24)27)37-18-22-9-10-23(19-37)41-22/h2-8,11,16-17,22-23H,9-10,12-15,18-20H2,1H3

InChIKey

NYHCXQIUWIEKQC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1257235-99-6

CID: 68758901

Formula: C34H33N3O5S

MW: 595.7

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	595.7
XLogP3	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	595.21409234
Monoisotopic Mass	595.21409234
Topological Polar Surface Area	99.8 Å²
Heavy Atom Count	43
Formal Charge	0
Complexity	1090
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19184502-01	NU5455

NU5455

Chemical Information

Alternative Products

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