Products for Research Use Only
RegisterLogin

ML349

CAT: 0804-HY-100737-03Size: 10 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-100737-03Size:10 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
ML349 is a potent and specific acyl protein thioesterase 2 (APT2) /lysophospholipase 2 (LYPLA2) inhibitor with a Ki of 120 nM. ML349 is also an inhibitor of LYPLA2 with an IC50 of 144 nM[1][2].
CAS Number
890819-86-0
UNSPSC
12352005
Target
Phospholipase
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ML349.html
Purity
99.47
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
COC1=CC=C(N2CCN(C(C3=CC4=C(C(C=CC=C5)=C5S(C4)(=O)=O)S3)=O)CC2)C=C1
Molecular Formula
C23H22N2O4S2
Molecular Weight
454.56
References & Citations
[1]Won SJ, et al. Molecular Mechanism for Isoform-Selective Inhibition of Acyl Protein Thioesterases 1 and 2 (APT1 and APT2) . ACS Chem Biol. 2016 Dec 16;11 (12) :3374-3382.|[2]Adibekian A, et al. Characterization of a Selective, Reversible Inhibitor of Lysophospholipase 2 (LYPLA2) .|[3]Vujic I, et al. Acyl protein thioesterase 1 and 2 (APT-1, APT-2) inhibitors palmostatin B, ML348 and ML349 have different effects on NRAS mutant melanoma cells. Oncotarget. 2016 Feb 9;7 (6) :7297-306.
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(5,5-Dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CAS Number890819-86-0
PubChem CID16193817
IUPAC Name(5,5-dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
Molecular FormulaC23H22N2O4S2
Molecular Weight454.6
XLogP3.4
Topological Polar Surface Area104
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count31
Formal Charge0
Complexity754
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC4=C(S3)C5=CC=CC=C5S(=O)(=O)C4
InChI
InChI=1S/C23H22N2O4S2/c1-29-18-8-6-17(7-9-18)24-10-12-25(13-11-24)23(26)20-14-16-15-31(27,28)21-5-3-2-4-19(21)22(16)30-20/h2-9,14H,10-13,15H2,1H3
InChIKey
YVIJPELUPZUEJX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (5,5-Dioxo-4H-thieno[3,2-c]thiochromen-2-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
CAS: 890819-86-0
CID: 16193817
Formula: C23H22N2O4S2
MW: 454.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight454.6
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass454.10209953
Monoisotopic Mass454.10209953
Topological Polar Surface Area104 Ų
Heavy Atom Count31
Formal Charge0
Complexity754
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

Related Products

CatalogName
HY-117948ML399
HY-101464-01ML329
HY-123504ML344
HY-114086-01ML359
HY-12274-01ML347
HY-117878-01ML345
HY-121916ML309
HY-18669-01ML346
HY-124275ML389
HY-100736-01ML348

Alternative Products

CatalogName
MBS3611710-01ML349
A12301-25ML349 25mg
A12301-10ML349 10mg
A12301-5ML349 5mg
A12301-50ML349 50mg
A12301-1ML349 1mg
A12301-100ML349 100mg
A12301-10mM-DML349 10mM * 1mL in DMSO

Popular Products