N-Boc-Sitagliptin

Basic Information

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CAS Number

486460-23-5

Molecular Formula

C21H23F6N5O3

Molecular Weight

507.44 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC(C)(C)OC(=O)NC(CC1=CC(=C(C=C1F)F)F)CC(=O)N2CCN3C(=NN=C3C(F)(F)F)C2

InChI

InChI=1S/C21H23F6N5O3/c1-20(2,3)35-19(34)28-12(6-11-7-14(23)15(24)9-13(11)22)8-17(33)31-4-5-32-16(10-31)29-30-18(32)21(25,26)27/h7,9,12H,4-6,8,10H2,1-3H3,(H,28,34)/t12-/m1/s1

InChIKey

RHCVXZBZEKGRQP-GFCCVEGCSA-N

LogP

3.5825000000000022

Topological Polar Surface Area

89.35000000000001 Å²

Hydrogen Bond Donor/Acceptor

1 / 8

Complexity

767

Synonyms & References

English

Sitagliptin N-Boc Impurity
Boc-Sitagliptin
N-Boc-Sitagliptin
tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate
tert-butyl (R)-(4-oxo-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-yl)carbamate
(R)-tert-Butyl (4-oxo-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-yl)carbamate
tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate
N-Boc Sitagliptin
7-[(3R)-3-[N-(tert-butoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoro-methyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine
tert-butyl (R)-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)-4-oxobutan-2-yl-carbamate
1,1-Dimethylethyl N-((1R)-3-(5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo(4,3-a)pyrazin-7(8H)-yl)-3-oxo-1-((2,4,5-trifluorophenyl)methyl)propyl)carbamate
486460-23-5
UNII-C2VCH5A4VG
7-[(3R)-3-[(1,1-Dimethylethoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)butanoyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine
7-[(3R)-3-[(1,1-Dimethylethoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)-butanoyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine
tert-Butyl [(2R)-4-oxo-4-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate
AS-82947
EN300-21631332
DTXSID20676589
E84193
Z2375649970
Carbamic acid, N-((1R)-3-(5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo(4,3-a)pyrazin-7(8H)-yl)-3-oxo-1-((2,4,5-trifluorophenyl)methyl)propyl)-, 1,1-dimethylethyl ester
tert-butyl N-[(2R)-4-oxo-4-[3-(trifluoromethyl)-5H,6H,8H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate
7-[(3R)-3-[N-(tert-butoxycarbonyl)amino]-4-(2,4,5-trifluorophenyl)-butanoyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine
(R)-tert-butyl4-oxo-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]-triazolo[4,3-a]pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-yl-carbamate
C21H23F6N5O3
(R)-tert-Butyl(4-oxo-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-1-(2,4,5-trifluorophenyl)butan-2-yl)carbamate
SCHEMBL1509255
C2VCH5A4VG

MDL Number

MFCD29044848

FAQ

What regulatory guidelines apply to N-Boc-Sitagliptin (CAS: 486460-23-5)?

N-Boc-Sitagliptin (CAS: 486460-23-5) is subject to various regulatory guidelines including GHS classification, REACH regulations, and FDA/EPA requirements for pharmaceutical chemicals. It is essential to ensure compliance with these guidelines to ensure safe handling, storage, and disposal.

Are there alternatives to N-Boc-Sitagliptin (CAS: 486460-23-5) in synthesis?

There are alternatives to N-Boc-Sitagliptin (CAS: 486460-23-5) in synthesis, such as other protecting group strategies or similar dipeptidyl peptidase-4 inhibitors. Common alternatives include Boc-protected derivatives or other chemically modified sitagliptin analogs.

What is the market or research trend for N-Boc-Sitagliptin (CAS: 486460-23-5)?

The market for N-Boc-Sitagliptin (CAS: 486460-23-5) is driven by ongoing research into diabetes treatments. Recent trends include the exploration of N-Boc-Sitagliptin for its potential use in combination therapies and its role in modulating dipeptidyl peptidase-4 activity, reflecting a growing interest in this compound.

How should waste containing N-Boc-Sitagliptin (CAS: 486460-23-5) be handled?

Waste containing N-Boc-Sitagliptin (CAS: 486460-23-5) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration or chemical treatment methods are recommended to ensure environmental safety and compliance with local regulations. Proper environmental protection precautions must be taken to prevent contamination of water and soil.