ChemicalBook--->CAS DataBase List--->1346527-98-7

1346527-98-7

1346527-98-7 Structure

1346527-98-7 Structure
IdentificationBack Directory
[Name]

CID-49830258
[CAS]

1346527-98-7
[Synonyms]

ML240
CS-2775
ML240, >98%
CID-49830258
ML240 >=98% (HPLC)
2-(2-amino-1H-benzo[d]imidazol-1-yl)-N-benzyl-8-methoxyquinazolin-4-amine
2-(2-Amino-1H-benzimidazol-1-yl)-8-methoxy-N-(phenylmethyl)-4-quinazolinamine
2-(2-Amino-1H-benzimidazole-1-yl)-8-methoxy-N-(phenylmethyl)-4-quinazolinamine
4-Quinazolinamine, 2-(2-amino-1H-benzimidazol-1-yl)-8-methoxy-N-(phenylmethyl)-
[Molecular Formula]

C23H20N6O
[MDL Number]

MFCD28137687
[MOL File]

1346527-98-7.mol
[Molecular Weight]

396.44
Chemical PropertiesBack Directory
[Boiling point ]

696.6±65.0 °C(Predicted)
[density ]

1.35±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: soluble5mg/mL, clear (warmed)
[form ]

powder
[pka]

4.53±0.10(Predicted)
[color ]

white to yellow to light brown
[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
[SMILES]

NC1=NC2=C(C=CC=C2)N1C3=NC4=C(OC)C=CC=C4C(NCC5=CC=CC=C5)=N3
Safety DataBack Directory
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

ML 240 is a p97 inhibitor in cancer and neurodegenerative diseases.
[Uses]

ML240 has been used as an inhibitor of D2 ATPase activity of valosin-containing protein.
[Definition]

ChEBI: 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 quinazolines, a member of benzimidazoles, a secondary amino compound, an aromatic amine, an aromatic ether and a primary amino compound.
[Biochem/physiol Actions]

ML240 is a selective, ATP-competetive inhibitor of AAA ATPase p97, also called valosine containing protein (VCP). The IC50 for p97 inhibition is 110 nM. ML240 rapidly induces activity of Caspases 3 and 7, leading to apoptosis. ML240 has potent antiproliferative activity towards NCI-60 cancer cell lines.
[storage]

Store at +4°C
Spectrum DetailBack Directory
[Spectrum Detail]

CID-49830258(1346527-98-7)1HNMR
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