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ML375

CAT: 0804-HY-12567-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-12567-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML375 (VU0483253) is a potent, highly selective, brain-penetrant and orally active M5 mAChR negative allosteric modulator (NAM) with IC50s of 300 nM and 790 nM for human and rat M5, respectively. ML375 is inactive at human and rat M1-M4[1].
CAS Number
1488362-55-5
Product Name Alternative
VU0483253
UNSPSC
12352005
Target
MAChR
Type
Reference compound
Related Pathways
GPCR/G Protein; Neuronal Signaling
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/ml375.html
Purity
99.70
Solubility
DMSO : 40 mg/mL (ultrasonic; warming)
Smiles
O=C1N2[C@@](N(C(C3=CC=C(F)C(F)=C3)=O)CC2)(C4=CC=C(Cl)C=C4)C5=C1C=CC=C5
Molecular Formula
C23H15ClF2N2O2
Molecular Weight
424.83
References & Citations
[1]Patrick R Gentry, et al. Discovery of the first M5-selective and CNS penetrant negative allosteric modulator (NAM) of a muscarinic acetylcholine receptor: (S) -9b- (4-chlorophenyl) -1- (3,4-difluorobenzoyl) -2,3-dihydro-1H-imidazo[2,1-a]isoindol-5 (9bH) -one (ML375) . J Med Chem. 2013 Nov 27;56 (22) :9351-5.|[2]Barak W Gunter, et al. Selective inhibition of M 5 muscarinic acetylcholine receptors attenuates cocaine self-administration in rats. Addict Biol. 2018 Sep;23 (5) :1106-1116.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
MAChR5

Chemical Information

ML375
CAS Number1488362-55-5
PubChem CID71598521
IUPAC Name(9bS)-9b-(4-chlorophenyl)-1-(3,4-difluorobenzoyl)-2,3-dihydroimidazo[2,1-a]isoindol-5-one
Molecular FormulaC23H15ClF2N2O2
Molecular Weight424.8
XLogP4.3
Topological Polar Surface Area40.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count30
Formal Charge0
Complexity701
SMILES
C1CN([C@]2(N1C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)Cl)C(=O)C5=CC(=C(C=C5)F)F
InChI
InChI=1S/C23H15ClF2N2O2/c24-16-8-6-15(7-9-16)23-18-4-2-1-3-17(18)22(30)28(23)12-11-27(23)21(29)14-5-10-19(25)20(26)13-14/h1-10,13H,11-12H2/t23-/m0/s1
InChIKey
GXBAKXRLQAPKEE-QHCPKHFHSA-N
Chemical Structure
2D Structure
2D structure of ML375
CAS: 1488362-55-5
CID: 71598521
Formula: C23H15ClF2N2O2
MW: 424.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight424.8
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass424.0790117
Monoisotopic Mass424.0790117
Topological Polar Surface Area40.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity701
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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