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ML-240

CAT: 1410-M11396-08Size: 200 mgDry Ice: NoHazardous: No
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CAT#:1410-M11396-08Size:200 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ML240 is a potent, selective and reversible AAA ATPase p97 inhibitor (IC50=100 nM) .
CAS Number
1346527-98-7
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
396.4445
Molecular Formula
C23H20N6O
Notes
Research use only, not for human use.
Receptor
P97

Chemical Information

ML240

ML240 is a member of the class of quinazolines that is quinazoline which is substituted at positions 2, 5 and 8 by 2-amino-1H-benzimidazol-1-yl, benzylnitrilo and methoxy groups, respectively. It is a ATP-competetive inhibitor of AAA ATPase p97, also known as valosin-containing protein (VCP). It has a role as an antineoplastic agent. It is a member of benzimidazoles, an aromatic amine, an aromatic ether, a member of quinazolines, a primary amino compound and a secondary amino compound.

CAS Number1346527-98-7
PubChem CID49830258
IUPAC Name2-(2-aminobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
Molecular FormulaC23H20N6O
Molecular Weight396.4
XLogP4.5
Topological Polar Surface Area90.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Heavy Atom Count30
Formal Charge0
Complexity558
SMILES
COC1=CC=CC2=C1N=C(N=C2NCC3=CC=CC=C3)N4C5=CC=CC=C5N=C4N
InChI
InChI=1S/C23H20N6O/c1-30-19-13-7-10-16-20(19)27-23(28-21(16)25-14-15-8-3-2-4-9-15)29-18-12-6-5-11-17(18)26-22(29)24/h2-13H,14H2,1H3,(H2,24,26)(H,25,27,28)
InChIKey
NHAMBLRUUJAFOY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of ML240
CAS: 1346527-98-7
CID: 49830258
Formula: C23H20N6O
MW: 396.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight396.4
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count5
Exact Mass396.16985928
Monoisotopic Mass396.16985928
Topological Polar Surface Area90.9 Ų
Heavy Atom Count30
Formal Charge0
Complexity558
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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