P-gp/BCRP-IN-1

CAT: 0931-T63267-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T63267-01Size:25 mg

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

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CAS Number

2764596-06-5

Target

BCRP, Others

Related Pathways

Membrane transporter/Ion channel, Others

Bioactivity

P-gp/BCRP-IN-1 (compound 19) is a relatively safe, orally active, and efficient inhibitor of the efflux transporters P-gp and BCRP, which reverses resistance and enhances the oral bioavailability of Paclitaxel (PTX) [1].

Smiles

C(NC1=CC=C(CCN2CCOCC2)C=C1)(=O)C=3C=4C(C(=O)N(N3)C5=CC=C(Cl)C=C5)=CC=CC4

Molecular Formula

C27H25ClN4O3

Molecular Weight

488.97

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

P-gp/BCRP-IN-1

CAS Number	2764596-06-5
PubChem CID	163322235
IUPAC Name	3-(4-chlorophenyl)-N-[4-(2-morpholin-4-ylethyl)phenyl]-4-oxophthalazine-1-carboxamide
Molecular Formula	C27H25ClN4O3
Molecular Weight	489.0
XLogP	4.3
Topological Polar Surface Area	74.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Heavy Atom Count	35
Formal Charge	0
Complexity	770

SMILES

C1COCCN1CCC2=CC=C(C=C2)NC(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H25ClN4O3/c28-20-7-11-22(12-8-20)32-27(34)24-4-2-1-3-23(24)25(30-32)26(33)29-21-9-5-19(6-10-21)13-14-31-15-17-35-18-16-31/h1-12H,13-18H2,(H,29,33)

InChIKey

XFURMSAITSZFAY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2764596-06-5

CID: 163322235

Formula: C27H25ClN4O3

MW: 489.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	489.0
XLogP3	4.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	6
Exact Mass	488.1615184
Monoisotopic Mass	488.1615184
Topological Polar Surface Area	74.2 Å²
Heavy Atom Count	35
Formal Charge	0
Complexity	770
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
T79353-01	P-gp/BCRP-IN-2
T12340-01	P-gp modulator 1
T12341-01	P-gp inhibitor 1
T210177-01	P-gp/CDK2-IN-1
T211172-01	VEGFR-2/P-gp-IN-1
T211609-01	P-gp-IN-30
T212471-01	P-gp-IN-31
T206140-01	Lysosomal P-gp targeted agent 1
T209011-01	P-gp inhibitor 18
T208251-01	P-gp inhibitor 16

Alternative Products

Catalog	Name
MBS5805938	P-gp/BCRP-IN-1
MBS5821015	P-gp/BCRP-IN-2
HY-161776	P-gp/CDK2-IN-1
HY-112912	P-gp modulator 1
MBS387786-01	P-gp inhibitor 1
BA6558-5	BCRP-IN-1
HY-178466	Tubulin polymerization/P-gp-IN-1
A20054-25	P-gp modulator 1 25mg
A20054-5	P-gp modulator 1 5mg
A20054-10	P-gp modulator 1 10mg

P-gp/BCRP-IN-1

Chemical Information

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