LY-402913

CAT: 0013-GTR19197142-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19197142-02Size:2 mg

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Description

LY-402913 is a potent and selective small molecule inhibitor of multidrug resistance-associated protein 1 (MRP1/ABCC1) . It is a valuable research tool for studying MRP1-mediated drug efflux and chemoresistance in both cellular assays and animal models.

CAS Number

334970-65-9

Product Name Alternative

LY 402913, LY402913, LY-402913, MRP1

Field of Research

Immunology & Inflammation, Neuroscience, Pharmacology & Drug Discovery

Purity

99.73% (May vary between batches)

Solubility

DMSO:50 mg/mL (93.64 mM)

Smiles

O=C1N (C=2C (C3=C1C (C) =NO3) =C (Cl) C=CC2) C4=CC (CC (NC5=CC (OC) =C (OC) C (OC) =C5) =O) =CC=C4

Molecular Formula

C28H24ClN3O6

Molecular Weight

533.96

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

LY-402913

an MRP1 modulator; structure in first source

CAS Number	334970-65-9
PubChem CID	59119386
IUPAC Name	2-[3-(9-chloro-3-methyl-4-oxo-[1,2]oxazolo[4,5-c]quinolin-5-yl)phenyl]-N-(3,4,5-trimethoxyphenyl)acetamide
Molecular Formula	C28H24ClN3O6
Molecular Weight	534.0
XLogP	4.4
Topological Polar Surface Area	103
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	38
Formal Charge	0
Complexity	835

SMILES

CC1=NOC2=C1C(=O)N(C3=C2C(=CC=C3)Cl)C4=CC=CC(=C4)CC(=O)NC5=CC(=C(C(=C5)OC)OC)OC

InChI

InChI=1S/C28H24ClN3O6/c1-15-24-27(38-31-15)25-19(29)9-6-10-20(25)32(28(24)34)18-8-5-7-16(11-18)12-23(33)30-17-13-21(35-2)26(37-4)22(14-17)36-3/h5-11,13-14H,12H2,1-4H3,(H,30,33)

InChIKey

VHYMJFJCXJXINF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 334970-65-9

CID: 59119386

Formula: C28H24ClN3O6

MW: 534.0

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	534.0
XLogP3	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	533.1353632
Monoisotopic Mass	533.1353632
Topological Polar Surface Area	103 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	835
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

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T27954-01	LY-402913
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228144	CD5 (Ly-1, Ly-12, Ly-A, T1, Tp67) (FITC) discontinued
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LY-402913

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