8-Bromo-7-(2-butyn-1-yl)-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-3,7-dihydro-1H-purine-2,6-dione | CAS No. 853029-57-9

8-Bromo-7-(2-butyn-1-yl)-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-3,7-dihydro-1H-purine-2,6-dione

Basic Information

CAS Number

853029-57-9

Molecular Formula

C20H17BrN6O2

Molecular Weight

30.07 g/mol

AD

Basic Physical Properties

Boiling Point

558.8±60.0 °C at 760 mmHg

Density

1.55

Flash Point

291.8±32.9 °C

CC#CCN1C(Br)=NC2=C1C(=O)N(CC1=NC3=C(C=CC=C3)C(C)=N1)C(=O)N2C

InChI

InChI=1S/C20H17BrN6O2/c1-4-5-10-26-16-17(24-19(26)21)25(3)20(29)27(18(16)28)11-15-22-12(2)13-8-6-7-9-14(13)23-15/h6-9H,10-11H2,1-3H3

InChIKey

RCZJXCXNYGHNSR-UHFFFAOYSA-N

LogP

1.0262

Topological Polar Surface Area

0.0 Ų

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

735

Synonyms & References

English

  • 8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione
  • 8-Bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione
  • 8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquin-azolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione
  • 8-bromo-7-(but-2-ynyl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione
  • 8-BROMO-7-BUT-2-YNYL-3-METHYL-1-(4-METHYL-QUINAZOLIN-2-YLMETHYL)-3,7-DIHYDRO-PURINE-2,6-DIONE
  • 1-[(4-methyl-quinazolin-2-yl)methyl]-3-m
  • 1-[(4-methyl-quinazolin-2-yl)methyl]-3-methyl-7-(but-2-ynyl)-8-bromo-xanthine
  • 1H-Purine-2,6-dione,8-bromo-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]
  • 2-bromo-1-(but-2-ynyl)-4-methyl-6-((4-methylquinazolin-2-yl)methyl)-1H-imidazo[4,5-b]pyridine-5,7-(4H,6H)-dione
  • X4789
  • RCZJXCXNYGHNSR-UHFFFAOYSA-N
  • 1-[(4-Methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-bromoxanthine
  • 8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-pu
  • Linagliptin Impurity A
  • 8-Bromo-7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione

MDL Number

MFCD18642578

Customs Code

2933990090

FAQ

What is 8-Bromo-7-(2-butyn-1-yl)-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-3,7-dihydro-1H-purine-2,6-dione (CAS: 853029-57-9)?

8-Bromo-7-(2-butyn-1-yl)-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-3,7-dihydro-1H-purine-2,6-dione is a complex organic compound with the CAS number 853029-57-9. It contains a purine ring system, a quinazoline moiety, and bromo and methyl substituents. The compound is known for its potential biological activity and is often studied in pharmaceutical research due to its structural complexity and functional groups.

What are the main uses of 8-Bromo-7-(2-butyn-1-yl)-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-3,7-dihydro-1H-purine-2,6-dione (CAS: 853029-57-9)?

This compound is primarily used in pharmaceutical research as a potential lead for drug development. Its unique structure makes it relevant for studying enzyme inhibition and molecular interactions. It may also find applications in medicinal chemistry and biochemical studies due to its functional groups and structural versatility.

Is 8-Bromo-7-(2-butyn-1-yl)-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-3,7-dihydro-1H-purine-2,6-dione (CAS: 853029-57-9) safe?

Safety information for this compound is limited, but as with many synthetic chemicals, it requires careful handling. It is advisable to follow standard lab safety protocols, including the use of personal protective equipment (PPE) such as gloves and goggles. Long-term toxicity data are not well established, so it should be used with caution in both research and industrial settings.

How should 8-Bromo-7-(2-butyn-1-yl)-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-3,7-dihydro-1H-purine-2,6-dione (CAS: 853029-57-9) be stored?

This compound should be stored in a cool, dry, and dark place, preferably at temperatures below 25°C. It is recommended to keep it in a sealed container to prevent moisture exposure and maintain stability. Avoid direct light and ensure proper ventilation to minimize any potential risks associated with its storage.

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