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MBA-m1

CAT: 0013-GTR19258026-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19258026-02Size:50 mg
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Description
MBA-m1 is an MLKL inhibitor that suppresses necroptosis in Mlkl−/−NIH-3T3 cells. Additionally, MBA-m1 alleviates disease conditions in mouse models of dermatitis and abdominal aortic aneurysm induced by MLKL.
CAS Number
305866-70-0
Field of Research
Signal Transduction
Smiles
ClC1=CC (=CC=C1OC=2C=CC=3C=CC=CC3C2) NC4=CC (=NC=5C=CC (OC) =CC54) C
Molecular Formula
C27H21ClN2O2
Molecular Weight
440.92
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-[3-chloro-4-(naphthalen-2-yloxy)phenyl]-6-methoxy-2-methylquinolin-4-amine
CAS Number305866-70-0
PubChem CID1714988
IUPAC NameN-(3-chloro-4-naphthalen-2-yloxyphenyl)-6-methoxy-2-methylquinolin-4-amine
Molecular FormulaC27H21ClN2O2
Molecular Weight440.9
XLogP7.5
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity606
SMILES
CC1=CC(=C2C=C(C=CC2=N1)OC)NC3=CC(=C(C=C3)OC4=CC5=CC=CC=C5C=C4)Cl
InChI
InChI=1S/C27H21ClN2O2/c1-17-13-26(23-16-21(31-2)10-11-25(23)29-17)30-20-8-12-27(24(28)15-20)32-22-9-7-18-5-3-4-6-19(18)14-22/h3-16H,1-2H3,(H,29,30)
InChIKey
XMCGZKAHUKOWQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-chloro-4-(naphthalen-2-yloxy)phenyl]-6-methoxy-2-methylquinolin-4-amine
CAS: 305866-70-0
CID: 1714988
Formula: C27H21ClN2O2
MW: 440.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight440.9
XLogP37.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass440.1291556
Monoisotopic Mass440.1291556
Topological Polar Surface Area43.4 Ų
Heavy Atom Count32
Formal Charge0
Complexity606
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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