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ML216

CAT: 0804-HY-12342-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-12342-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML216 (CID-49852229) is a potent, selective and cell permeable inhibitor of the DNA unwinding activity of BLM helicase with IC50s of 2.98 μM and 0.97 μM for BLMfull-length and BLM636-1298, respectively. ML216 inhibits ssDNA-dependent ATPase activity of BLM with a Ki of 1.76 μM. Antitumor avtivity[1][2].
CAS Number
1430213-30-1
Product Name Alternative
CID-49852229
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
DNA/RNA Synthesis
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ML216.html
Purity
99.89
Solubility
DMSO : 20 mg/mL (ultrasonic)
Smiles
O=C(NC1=CC=C(F)C(C(F)(F)F)=C1)NC2=NN=C(S2)C3=CC=NC=C3
Molecular Formula
C15H9F4N5OS
Molecular Weight
383.32
Precautions
H302, H315, H319, H335
References & Citations
[1]Nguyen GH, et al. A small molecule inhibitor of the BLM helicase modulates chromosome stability in human cells. Chem Biol. 2013 Jan 24;20 (1) :55-62.|[2]Banerjee T, et al. A new development in DNA repair modulation: discovery of a BLM helicase inhibitor. Cell Cycle. 2013 Mar 1;12 (5) :713-4.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

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
B8015-10ML216
A21754-100ML216 100mg
A21754-50ML216 50mg
A21754-10ML216 10mg
A21754-5ML216 5mg
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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