What is the Sitagliptin phosphate monohydrate?

Sitagliptin phosphate monohydrate is White or almost white crystalline powder, while it's Molecular Formula is C16H15F6N5O . H3PO4 . H2O. White or almost white crystalline powder Sitagliptin Phosphate Monohydrate is a dipeptidyl peptidase-IV (DPPIV) inhibitor.

What is the CAS number for Sitagliptin phosphate monohydrate?

The CAS number of Sitagliptin phosphate monohydrate is 654671-77-9.

What is the Sitagliptin phosphate monohydrate?

Sitagliptin phosphate monohydrate is White or almost white crystalline powder, while it's Molecular Formula is C16H15F6N5O . H3PO4 . H2O. White or almost white crystalline powder Sitagliptin Phosphate Monohydrate is a dipeptidyl peptidase-IV (DPPIV) inhibitor.

What is the CAS number for Sitagliptin phosphate monohydrate?

The CAS number of Sitagliptin phosphate monohydrate is 654671-77-9.

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654671-77-9

Product Name：Sitagliptin phosphate
Molecular Formula：C₁₆H₁₅F₆N₅O^.H₃PO₄^.H₂O
Purity：99%
Molecular Weight：523.329

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Product Details;

CasNo： 654671-77-9

Molecular Formula： C₁₆H₁₅F₆N₅O^.H₃PO₄^.H₂O

Appearance： White or almost white crystalline powder

Best Quality Buy Quality Sitagliptin phosphate 654671-77-9 Cheapest Price

Molecular Formula:C16H15F6N5O^.H3PO4^.H2O
Molecular Weight:523.329
Appearance/Colour:White or almost white crystalline powder
Vapor Pressure:2.59E-11mmHg at 25°C
Boiling Point:529.9 °C at 760 mmHg
Flash Point:274.3 °C
PSA：173.84000
LogP:1.66180

Sitagliptin phosphate monohydrate(Cas 654671-77-9) Usage

Chemical Properties	white crystalline
Uses	antimuscarinic
Biological Activity	sitagliptin phosphate monohydrate is the phosphate salt of its active component, sitagliptin, with one molecule of water. sitagliptin is a potent inhibitor of dipeptidyl peptidase 4 (dpp-4), an enzyme catalyzing the cleavage of peptides with an n-terminal alanine or proline amino acid residue, that selectively inhibits dpp-4 with 50% inhibition concentration ic50 value of 18 nm and shows no affinity towards other ddp enzymes (such as ddp-8 and ddp-9). the inhibition of dpp4 by sitagliptin has been found to be mediated by increasing levels of two dpp-4 substrates, including glucagon-like peptide-1 (glp-1) and gastric inhibitory polypeptide (gip). sitagliptin is currently being investigated in the treatment of type ii diabetes.gallwitz b. review of sitagliptin phosphate: a novel treatment for type 2 diabetes. vasc health risk manag. 2007;3(2):203-10.

InChI:InChI=1/C16H15F6N5O.H3O4P.H2O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22;1-5(2,3)4;/h4,6,9H,1-3,5,7,23H2;(H3,1,2,3,4);1H2/t9-;;/m1../s1

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654671-77-9 Process route

: 764667-65-4
1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione

: 654671-77-9
sitagliptin phosphate monohydrate

Conditions

Conditions	Yield
Multi-step reaction with 4 steps 1: isopropyl alcohol; acetic acid / 18 h / 50 °C 2: sodium tetrahydroborate; formic acid / tetrahydrofuran / -30 °C 3: 20% palladium hydroxide-activated charcoal; hydrogen; acetic acid / methanol; water / 14 h / 50 °C / 7500.75 Torr 4: phosphoric acid; water / isopropyl alcohol / 20 - 75 °C With sodium tetrahydroborate; formic acid; phosphoric acid; 20% palladium hydroxide-activated charcoal; water; hydrogen; acetic acid; In tetrahydrofuran; methanol; water; acetic acid; isopropyl alcohol;
Multi-step reaction with 4 steps 1: isopropyl alcohol; acetic acid / 18 h / 50 °C 2: sodium tetrahydroborate; acetic acid / tetrahydrofuran / 3 h / 20 °C 3: 20% palladium hydroxide-activated charcoal; hydrogen; acetic acid / methanol; water / 14 h / 50 °C / 7500.75 Torr 4: phosphoric acid; water / isopropyl alcohol / 20 - 75 °C With sodium tetrahydroborate; phosphoric acid; 20% palladium hydroxide-activated charcoal; water; hydrogen; acetic acid; In tetrahydrofuran; methanol; water; acetic acid; isopropyl alcohol;
Multi-step reaction with 3 steps 1.1: ammonium acetate; ammonia / methanol; water / 2 h / 30 °C / Heating / reflux 2.1: (R, S) t-butyl Josiphos / chloro(1,5-cyclooctadiene)rhodium(I) dimer / methanol / 1 h / 20 °C 2.2: 13 h / 50 °C / 10343.2 Torr 3.1: phosphoric acid; water / isopropyl alcohol / 2 h / 68 - 75 °C With phosphoric acid; ammonium acetate; ammonia; water; chloro(1,5-cyclooctadiene)rhodium(I) dimer; In methanol; water; isopropyl alcohol;

: 209995-38-0
(2,4,5-trifluorophenyl)acetic acid

: 654671-77-9
sitagliptin phosphate monohydrate

Conditions

Conditions	Yield
Multi-step reaction with 7 steps 1.1: triethylamine; magnesium chloride / acetonitrile / 30 - 50 °C / Inert atmosphere 1.2: 5.5 h / 30 °C / Inert atmosphere 2.1: hydrogen; dichloro[(S)-(-)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]ruthenium(II) / methanol; acetic acid / 70 °C / 3620.13 Torr / Inert atmosphere; Autoclave 3.1: lithium hydroxide; dicyclohexyl-carbodiimide / tetrahydrofuran; water; cis-1,2-Dichloroethylene / 3 h / 20 - 22 °C 3.2: 18.5 h / 10 - 20 °C 4.1: lithium hydroxide / tetrahydrofuran; water / 2.33 h / 20 - 25 °C / pH 3 4.2: 3 h / 0 - 5 °C 5.1: phosphoric acid / isopropyl alcohol / 16 h / 30 °C 6.1: sodium hydroxide / water / 1 h / 0 - 5 °C 7.1: phosphoric acid; water / water; isopropyl alcohol / 0.25 h With dichloro[(S)-(-)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]ruthenium(II); phosphoric acid; water; hydrogen; triethylamine; dicyclohexyl-carbodiimide; sodium hydroxide; magnesium chloride; lithium hydroxide; In tetrahydrofuran; cis-1,2-Dichloroethylene; methanol; water; acetic acid; isopropyl alcohol; acetonitrile;
Multi-step reaction with 5 steps 1.1: dmap; N-ethyl-N,N-diisopropylamine / N,N-dimethyl acetamide / 20 - 40 °C 1.2: 2 - 3 h / 0 - 5 °C 2.1: N,N-dimethyl acetamide / 1 h / 40 - 70 °C 2.2: 3 - 5 h / 20 - 45 °C 3.1: ammonium acetate; ammonia / methanol; water / 2 h / 30 °C / Heating / reflux 4.1: (R, S) t-butyl Josiphos / chloro(1,5-cyclooctadiene)rhodium(I) dimer / methanol / 1 h / 20 °C 4.2: 13 h / 50 °C / 10343.2 Torr 5.1: phosphoric acid; water / isopropyl alcohol / 2 h / 68 - 75 °C With dmap; phosphoric acid; ammonium acetate; ammonia; water; N-ethyl-N,N-diisopropylamine; chloro(1,5-cyclooctadiene)rhodium(I) dimer; In methanol; N,N-dimethyl acetamide; water; isopropyl alcohol;

Yield

Multi-step reaction with 7 steps

1.1: triethylamine; magnesium chloride / acetonitrile / 30 - 50 °C / Inert atmosphere

1.2: 5.5 h / 30 °C / Inert atmosphere

2.1: hydrogen; dichloro[(S)-(-)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]ruthenium(II) / methanol; acetic acid / 70 °C / 3620.13 Torr / Inert atmosphere; Autoclave

3.1: lithium hydroxide; dicyclohexyl-carbodiimide / tetrahydrofuran; water; cis-1,2-Dichloroethylene / 3 h / 20 - 22 °C

3.2: 18.5 h / 10 - 20 °C

4.1: lithium hydroxide / tetrahydrofuran; water / 2.33 h / 20 - 25 °C / pH 3

4.2: 3 h / 0 - 5 °C

5.1: phosphoric acid / isopropyl alcohol / 16 h / 30 °C

6.1: sodium hydroxide / water / 1 h / 0 - 5 °C

7.1: phosphoric acid; water / water; isopropyl alcohol / 0.25 h

With dichloro[(S)-(-)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl]ruthenium(II); phosphoric acid; water; hydrogen; triethylamine; dicyclohexyl-carbodiimide; sodium hydroxide; magnesium chloride; lithium hydroxide; In tetrahydrofuran; cis-1,2-Dichloroethylene; methanol; water; acetic acid; isopropyl alcohol; acetonitrile;

Multi-step reaction with 5 steps

1.1: dmap; N-ethyl-N,N-diisopropylamine / N,N-dimethyl acetamide / 20 - 40 °C

1.2: 2 - 3 h / 0 - 5 °C

2.1: N,N-dimethyl acetamide / 1 h / 40 - 70 °C

2.2: 3 - 5 h / 20 - 45 °C

3.1: ammonium acetate; ammonia / methanol; water / 2 h / 30 °C / Heating / reflux

4.1: (R, S) t-butyl Josiphos / chloro(1,5-cyclooctadiene)rhodium(I) dimer / methanol / 1 h / 20 °C

4.2: 13 h / 50 °C / 10343.2 Torr

5.1: phosphoric acid; water / isopropyl alcohol / 2 h / 68 - 75 °C

With dmap; phosphoric acid; ammonium acetate; ammonia; water; N-ethyl-N,N-diisopropylamine; chloro(1,5-cyclooctadiene)rhodium(I) dimer; In methanol; N,N-dimethyl acetamide; water; isopropyl alcohol;

654671-77-9 Upstream products

486460-32-6
sitagliptin
764667-65-4
1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butane-1,3-dione
1169707-29-2
(R,Z)-3-[(1-phenylethyl)amino]-1-{3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl}-4-(2,4,5-trifluorophenyl)but-2-en-1-one
1169707-30-5
(3R)-3-[[(1R)-1-phenylethyl]amino]-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one

654671-77-9 Downstream products

654671-78-0
sitagliptin phosphate

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