N-Phthalimide-linagliptin

Basic Information

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CAS Number

886588-63-2

Molecular Formula

C33H30N8O4

Molecular Weight

30.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Nitriles

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC#CCN1C2=C(N=C1N3CCCC(C3)N4C(=O)C5=CC=CC=C5C4=O)N(C(=O)N(C2=O)CC6=NC7=CC=CC=C7C(=N6)C)C

InChI

InChI=1S/C33H30N8O4/c1-4-5-17-39-27-28(37(3)33(45)40(31(27)44)19-26-34-20(2)22-12-8-9-15-25(22)35-26)36-32(39)38-16-10-11-21(18-38)41-29(42)23-13-6-7-14-24(23)30(41)43/h6-9,12-15,21H,10-11,16-19H2,1-3H3/t21-/m1/s1

InChIKey

OXVXJPINFRNEPM-OAQYLSRUSA-N

LogP

1.0262

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

1260

Synonyms & References

English

N-Phthalimide-linagliptin
(R)-7-(But-2-ynyl)-8-(3-(1,3-dioxoisoindolin-2-yl)piperidin-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-1H-purine-2,6(3H,7H)-dione
OXVXJPINFRNEPM-OAQYLSRUSA-N
7-But-2-ynyl-8-[(R)-3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-piperidin-1-yl]-3-methyl-1-(4-methyl-quinazolin-2-ylmethyl)-3,7-dihydro-purine-2,6-dione
7-But-2-ynyl-8-[(R)-3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-piperidin-1-yl]-3-methyl-1-(4-methyl-quinazolin-2-y
7-But-2-ynyl-8-[(3R)-3-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-3-methyl-1-[(4-methylquinazolin-2-yl)
1H-Purine-2,6-dione, 7-(2-butynyl)-8-[(3R)-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-piperidinyl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]- (9CI)
7-(2-Butyn-1-yl)-8-[(3R)-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-piperidinyl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione (ACI)
(R)-7-(but-2-yn-1-yl)-8-(3-(1,3-dioxoisoindolin-2-yl)piperidin-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-3,7-dihydro-1H-purine-2,6-dione
7-but-2-ynyl-8-[(3R)-3-(1,3-dioxoisoindol-2-yl)piperidin-1-yl]-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]purine-2,6-dione
NS00002242
1-[(4-methyl-quinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8(3-(R)-phthalimidopiperidin-1-yl)xanthine
AS-75280
7-(2-Butyn-1-yl)-8-[(3R)-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-piperidinyl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione
1H-Purine-2,6-dione, 7-(2-butyn-1-yl)-8-[(3R)-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-piperidinyl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-
886588-63-2
DTXSID601020126
1-[(4-methyl-quinazolin-2-yl)methyl]-3-methyl-7-(2-butyn-1-yl)-8-(3-(R)-phthalimido-piperidin-1-yl)xanthine
AKOS037647913
SCHEMBL13119520
CS-0009377
N-Phthalimide-linagliptin; 1H-Purine-2,6-dione, 7-(2-butyn-1-yl)-8-[(3R)-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-piperidinyl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]- (ACI); 1H-Purine-2,6-dione, 7-(2-butynyl)-8-[(3R)-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-
7-(but-2-yn-1-yl)-8-[(3R)-3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)piperidin-1-yl]-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
1H-Purine-2,6-dione,7-(2-butynyl)-8-[(3R)-3-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)-1-piperidinyl]-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-
1-[(4-Methylquinazolin-2-yl)methyl]-3-methyl-7-(2-butin-1-yl)-8-(3-(R)-phthalimidopiperidin-1-yl)-xanthine

MDL Number

MFCD28386715

FAQ

What is N-Phthalimide-linagliptin (CAS: 886588-63-2)?

N-Phthalimide-linagliptin is a chemical compound with the CAS number 886588-63-2. It is a derivative of linagliptin, which is an inhibitor of dipeptidyl peptidase-4 (DPP-4). This compound is used in pharmaceuticals for its anti-diabetic properties.

What are the main uses of N-Phthalimide-linagliptin (CAS: 886588-63-2)?

N-Phthalimide-linagliptin is primarily used in the pharmaceutical industry as an intermediate for the synthesis of linagliptin, a drug used to treat Type 2 diabetes. It is also used in research for developing new DPP-4 inhibitors.

Is N-Phthalimide-linagliptin (CAS: 886588-63-2) safe?

N-Phthalimide-linagliptin is generally considered safe when used as an intermediate in the synthesis of linagliptin. However, it is important to follow safety precautions such as wearing appropriate personal protective equipment and handling it in a well-ventilated area to avoid inhalation or skin contact.

How should N-Phthalimide-linagliptin (CAS: 886588-63-2) be stored?

N-Phthalimide-linagliptin should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture and air exposure. Storage at temperatures below 25°C is recommended to maintain its stability and purity.