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ML241

CAT: 0804-HY-19797-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-19797-05Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML241 is a potent, selective and competitive p97 ATPase inhibitor with an IC50 of 0.11 μM. ML241 can be used for the research of cancer[1].
CAS Number
1346528-06-0
UNSPSC
12352005
Hazard Statement
H315-H319
Target
P97
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/ml241.html
Purity
99.96
Solubility
10 mM in DMSO
Smiles
C1(N2C3=CC=CC=C3OCC2)=NC(NCC4=CC=CC=C4)=C5CCCCC5=N1
Molecular Formula
C23H24N4O
Molecular Weight
372.46
Precautions
P264-P280-P302+P352-P362+P364
References & Citations
[1]Chou TF, et al. Structure-activity relationship study reveals ML240 and ML241 as potent and selective inhibitors of p97 ATPase. ChemMedChem. 2013 Feb;8 (2) :297-312.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, protect from light, stored under nitrogen)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-(2H-benzo[b][1,4]oxazin-4(3H)-yl)-N-benzyl-5,6,7,8-tetrahydroquinazolin-4-amine
CAS Number1346528-06-0
PubChem CID49830260
IUPAC NameN-benzyl-2-(2,3-dihydro-1,4-benzoxazin-4-yl)-5,6,7,8-tetrahydroquinazolin-4-amine
Molecular FormulaC23H24N4O
Molecular Weight372.5
XLogP5
Topological Polar Surface Area50.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity497
SMILES
C1CCC2=C(C1)C(=NC(=N2)N3CCOC4=CC=CC=C43)NCC5=CC=CC=C5
InChI
InChI=1S/C23H24N4O/c1-2-8-17(9-3-1)16-24-22-18-10-4-5-11-19(18)25-23(26-22)27-14-15-28-21-13-7-6-12-20(21)27/h1-3,6-9,12-13H,4-5,10-11,14-16H2,(H,24,25,26)
InChIKey
RMZPVQQGYVSLAP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2H-benzo[b][1,4]oxazin-4(3H)-yl)-N-benzyl-5,6,7,8-tetrahydroquinazolin-4-amine
CAS: 1346528-06-0
CID: 49830260
Formula: C23H24N4O
MW: 372.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight372.5
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass372.19501140
Monoisotopic Mass372.19501140
Topological Polar Surface Area50.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity497
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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