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ML-SA1

CAT: 1568-C14550-25mgSize: 25 mgDry Ice: NoHazardous: No
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CAT#:1568-C14550-25mgSize:25 mg
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CAS Number
332382-54-4
Synonyms
Mucolipin synthetic agonist 1
Target
TRP Channel
Applications
Neuronal Signaling
Smiles
CC1CC (C) (C) N (C (=O) CN2C (=O) C3=C (C=CC=C3) C2=O) C4=C1C=CC=C4
Molecular Formula
C22H22N2O3
Additionnal Information
ML-SA1 (Mucolipin synthetic agonist 1) is an activator of TRPML channels. ML-SA1 also inhibits Dengue virus 2 (DENV2) and Zika virus (ZIKV) by promoting lysosomal acidification and protease activity. The IC50 values of ML-SA1 against DENV2 RNA and ZIKV RNA are 8.93 μM and 52.99 μM, respectively. ML-SA1 induces autophagy. ML-SA1 can be used for the research of broad-spectrum antiviral.
Storage Conditions
3 years -20°C powder

Chemical Information

ML SA1

ML-SA1 is an organic molecular entity. It has a role as a TRP channel modulator.

CAS Number332382-54-4
PubChem CID2880983
IUPAC Name2-[2-oxo-2-(2,2,4-trimethyl-3,4-dihydroquinolin-1-yl)ethyl]isoindole-1,3-dione
Molecular FormulaC22H22N2O3
Molecular Weight362.4
XLogP3.3
Topological Polar Surface Area57.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count27
Formal Charge0
Complexity619
SMILES
CC1CC(N(C2=CC=CC=C12)C(=O)CN3C(=O)C4=CC=CC=C4C3=O)(C)C
InChI
InChI=1S/C22H22N2O3/c1-14-12-22(2,3)24(18-11-7-6-8-15(14)18)19(25)13-23-20(26)16-9-4-5-10-17(16)21(23)27/h4-11,14H,12-13H2,1-3H3
InChIKey
KDDHBJICVBONAX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML SA1
CAS: 332382-54-4
CID: 2880983
Formula: C22H22N2O3
MW: 362.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight362.4
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass362.16304257
Monoisotopic Mass362.16304257
Topological Polar Surface Area57.7 Ų
Heavy Atom Count27
Formal Charge0
Complexity619
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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