ML240

CAT: 0804-HY-19795-03Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-19795-03Size:10 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 p97 inhibitor, inhibiting p97 ATPase with IC50 value of 100 nM.

CAS Number

1346527-98-7

UNSPSC

12352005

Hazard Statement

H302

Target

P97

Type

Reference compound

Related Pathways

Cell Cycle/DNA Damage

Applications

Cancer-Kinase/protease

Field of Research

Cancer

Assay Protocol

https://www.medchemexpress.com/ML240.html

Purity

99.87

Solubility

DMSO : 12.5 mg/mL (ultrasonic)

Smiles

COC1=CC=CC2=C(NCC3=CC=CC=C3)N=C(N4C(N)=NC5=CC=CC=C45)N=C12

Molecular Formula

C23H20N6O

Molecular Weight

396.44

Precautions

H302

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.|[2]Chou TF, et al. Selective, reversible inhibitors of the AAA ATPase p97. Probe Reports from the NIH Molecular Libraries Program. April 14, 2011.

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

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 Number	1346527-98-7
PubChem CID	49830258
IUPAC Name	2-(2-aminobenzimidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
Molecular Formula	C23H20N6O
Molecular Weight	396.4
XLogP	4.5
Topological Polar Surface Area	90.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Heavy Atom Count	30
Formal Charge	0
Complexity	558

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

CAS: 1346527-98-7

CID: 49830258

Formula: C23H20N6O

MW: 396.4

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	396.4
XLogP3	4.5
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	5
Exact Mass	396.16985928
Monoisotopic Mass	396.16985928
Topological Polar Surface Area	90.9 Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	558
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
HY-19797-01	ML241
HY-12949-01	ML204
HY-19972	ML243
HY-111678-01	ML230
HY-100127	ML247
HY-175633	ML210-ansaFc
HY-19797A-01	ML241 (hydrochloride)
HY-12949A-01	ML204 (hydrochloride)

Alternative Products

Catalog	Name
T3535-01	ML240
A20768-50	ML240 50mg
A20768-500	ML240 500mg
A20768-25	ML240 25mg
A20768-10	ML240 10mg
A20768-2	ML240 2mg
A20768-5	ML240 5mg
A20768-1	ML240 1mg
A20768-100	ML240 100mg
A20768-10mM-D	ML240 10mM * 1mL in DMSO

ML240

Chemical Information

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