Ardeemin

CAT: 0013-GTR19248506-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19248506-02Size:50 mg

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Description

Ardeemin is a P-glycoprotein inhibitor that blocks the efflux of chemotherapeutic agents, reversing multidrug resistance in cancer cells. In both in vitro assays and breast cancer xenograft models, it has been shown to resensitize tumors to anticancer drugs.

CAS Number

148441-25-2

Field of Research

Neuroscience, Pharmacology & Drug Discovery

Smiles

[C@@] (C=C) (C) (C) [C@]12[C@] (N3[C@@] (C1) (C=4N ([C@H] (C) C3=O) C (=O) C=5C (N4) =CC=CC5) [H]) (NC=6C2=CC=CC6) [H]

Molecular Formula

C26H26N4O2

Molecular Weight

426.51

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Ardeemin

Ardeemin is a pyrroloindole.

CAS Number	148441-25-2
PubChem CID	10048118
IUPAC Name	(1S,12R,15S,23R)-12-methyl-23-(2-methylbut-3-en-2-yl)-3,11,14,16-tetrazahexacyclo[12.10.0.02,11.04,9.015,23.017,22]tetracosa-2,4,6,8,17,19,21-heptaene-10,13-dione
Molecular Formula	C26H26N4O2
Molecular Weight	426.5
XLogP	4.4
Topological Polar Surface Area	65
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	32
Formal Charge	0
Complexity	896

SMILES

C[C@@H]1C(=O)N2[C@@H](C[C@@]3([C@H]2NC4=CC=CC=C43)C(C)(C)C=C)C5=NC6=CC=CC=C6C(=O)N15

InChI

InChI=1S/C26H26N4O2/c1-5-25(3,4)26-14-20-21-27-18-12-8-6-10-16(18)23(32)29(21)15(2)22(31)30(20)24(26)28-19-13-9-7-11-17(19)26/h5-13,15,20,24,28H,1,14H2,2-4H3/t15-,20+,24+,26-/m1/s1

InChIKey

DNOJISVGBFLJOQ-BXVKCURFSA-N

Chemical Structure

2D Structure

CAS: 148441-25-2

CID: 10048118

Formula: C26H26N4O2

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	4.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	426.20557608
Monoisotopic Mass	426.20557608
Topological Polar Surface Area	65 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	896
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-N5166	Ardeemin

Ardeemin

Chemical Information

Alternative Products

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