MMRi62

CAT: 0957-E1537-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0957-E1537-01Size:5 mg

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Description

MMRi62 is a ferroptosis inducer, targeting MDM2-MDM4 with Kd value of 1.39 μM. It exhibits a P53-independent pro-apoptotic activity against pancreatic ductal adenocarcinoma (PDAC) cells and induce autophagy.

CAS Number

352693-80-2

Target

MDM2/MDMX

Activity

Apoptosis

Molecular Formula

C21H15Cl2N3O

Chemical Information

7-[(2,3-Dichlorophenyl)(pyridin-2-ylamino)methyl]quinolin-8-ol

CAS Number	352693-80-2
PubChem CID	2895446
IUPAC Name	7-[(2,3-dichlorophenyl)-(pyridin-2-ylamino)methyl]quinolin-8-ol
Molecular Formula	C21H15Cl2N3O
Molecular Weight	396.3
XLogP	5.5
Topological Polar Surface Area	58
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	27
Formal Charge	0
Complexity	482

SMILES

C1=CC=NC(=C1)NC(C2=C(C(=CC=C2)Cl)Cl)C3=C(C4=C(C=CC=N4)C=C3)O

InChI

InChI=1S/C21H15Cl2N3O/c22-16-7-3-6-14(18(16)23)20(26-17-8-1-2-11-24-17)15-10-9-13-5-4-12-25-19(13)21(15)27/h1-12,20,27H,(H,24,26)

InChIKey

FMUBUUSODRAEMS-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 352693-80-2

CID: 2895446

Formula: C21H15Cl2N3O

MW: 396.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	396.3
XLogP3	5.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	395.0592175
Monoisotopic Mass	395.0592175
Topological Polar Surface Area	58 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	482
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
BA2833-100	MMRi62

MMRi62

Chemical Information

Alternative Products

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