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ML216

CAT: 0013-GTR19168456-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19168456-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML216 (CID-49852229) is a potent and selective inhibitor of the BLM helicase with an IC50 of 1.8 μM, demonstrating over 28-fold selectivity against RECQ1, RECQ5, and E. coli UvrD. This tool compound is used in vitro to study DNA repair mechanisms, replication stress, and genomic instability associated with Bloom syndrome.
CAS Number
1430213-30-1
Product Name Alternative
Inhibit, ML216, ML-216, ML 216, Inhibitor, helicase, DNA, DNA/RNA Synthesis, DNA Synthesis, DNASynthesis, chromatid, CID 49852229, CID49852229, CID-49852229, BLM helicase, BLM, anti-proliferative, Anticancer, sister, WRN, RNASynthesis, RNA Synthesis, toxicity, unwinding
Field of Research
Cell Biology, Molecular Biology
Purity
96.83% (May vary between batches)
Solubility
DMSO:5 mg/mL (13.04 mM)
Smiles
Fc1ccc (NC (=O) Nc2nnc (s2) -c2ccncc2) cc1C (F) (F) F
Molecular Formula
C15H9F4N5OS
Molecular Weight
383.32
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

ML216

1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea is a member of ureas.

CAS Number1430213-30-1
PubChem CID49852229
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)urea
Molecular FormulaC15H9F4N5OS
Molecular Weight383.3
XLogP2.8
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Heavy Atom Count26
Formal Charge0
Complexity491
SMILES
C1=CC(=C(C=C1NC(=O)NC2=NN=C(S2)C3=CC=NC=C3)C(F)(F)F)F
InChI
InChI=1S/C15H9F4N5OS/c16-11-2-1-9(7-10(11)15(17,18)19)21-13(25)22-14-24-23-12(26-14)8-3-5-20-6-4-8/h1-7H,(H2,21,22,24,25)
InChIKey
WMCOYUSJXXCHFH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML216
CAS: 1430213-30-1
CID: 49852229
Formula: C15H9F4N5OS
MW: 383.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight383.3
XLogP32.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count3
Exact Mass383.04639375
Monoisotopic Mass383.04639375
Topological Polar Surface Area108 Ų
Heavy Atom Count26
Formal Charge0
Complexity491
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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Alternative Products

CatalogName
B8015-5.1ML216
A21754-10ML216 10mg
A21754-5ML216 5mg
A21754-100ML216 100mg
A21754-50ML216 50mg
A21754-25ML216 25mg
MBS130630-01ML216(CID-49852229)
SF1172-25mgML216 (BLM helicase inhibitor)
A21754-10mM-DML216 10mM * 1mL in DMSO
217222BLM Helicase Inhibitor, ML216 (ML-216, 1- (4-Fluoro-3- (trifluoromethyl) phenyl) -3- (5- (pyridin-4-yl) -1,3,4-thiadiazol-2-yl) urea)

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