ML 23

CAT: 0931-T33450-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T33450-02Size:50 mg

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CAS Number

108929-03-9

Target

Others

Related Pathways

Others

Bioactivity

ML 23 is a melatonin analogue in the treatment and management of Parkinson's disease. ML-23 is a potential clinical candidate for the treatment of PD, and the present study has been undertaken to determine the efficacy of ML-23 in the 1-methyl-4-phenyl, 1,2,3,6 tetrahydropyridine (MPTP) model in the common marmoset. On all parameters, ML-23 produced a significant remission from MPTP-induced Parkinsonism, and this effect did not abate when ML-23 treatment was withdrawn. Conversely, a recurrence of Parkinsonian signs was not observed when ML-23 treatment was withdrawn and substituted with oral vehicle.

Smiles

COC1=CC2=C(NC=C2CCNC3=CC([N+]([O-])=O)=CC([N+]([O-])=O)=C3)C=C1

Molecular Formula

C17H16N4O5

Molecular Weight

356.34

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

ML 23

melatonin antagonist

CAS Number	108929-03-9
PubChem CID	176102
IUPAC Name	N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2,4-dinitroaniline
Molecular Formula	C17H16N4O5
Molecular Weight	356.33
XLogP	4.2
Topological Polar Surface Area	129
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	26
Formal Charge	0
Complexity	508

SMILES

COC1=CC2=C(C=C1)NC=C2CCNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O5/c1-26-13-3-5-15-14(9-13)11(10-19-15)6-7-18-16-4-2-12(20(22)23)8-17(16)21(24)25/h2-5,8-10,18-19H,6-7H2,1H3

InChIKey

ODQMCTXUHFTMIE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 108929-03-9

CID: 176102

Formula: C17H16N4O5

MW: 356.33

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	356.33
XLogP3	4.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	356.11206962
Monoisotopic Mass	356.11206962
Topological Polar Surface Area	129 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	508
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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ML 23

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