ChemicalBook--->CAS DataBase List--->1253056-18-6

1253056-18-6

1253056-18-6 Structure

1253056-18-6 Structure
IdentificationBack Directory
[Name]

Sitagliptin DeaMino IMpurity 1
[CAS]

1253056-18-6
[Synonyms]

Impurity FP-D
Sitagliptin iMpurity S
Sitagliptin Impurity 01
Sitagliptin FP Impurity D
Sitagliptin Impurity FP-D
Sitagliptin EP Impurity 13
Sitagliptin EP Impurity FP-D
Sitagliptin DeaMino IMpurity 1
3-Desamino-2,3-dehydro Sitagliptin
Sitagliptin phenyl crotonyl analog
Sitagliptin USPPhenylcrotonyl Analog
(E)-1-(3-(trifluoromethyl)-5,6-dihydro
(2E)-1-[5,6-Dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-2-buten-1-one
(E)-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
2-Buten-1-one, 1-[5,6-dihydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazin-7(8H)-yl]-4-(2,4,5-trifluorophenyl)-, (2E)-
(E)-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 (Sitagliptin Impurity)
Sitagliptin impurity 8/Sitagliptin FP Impurity D/3-Desamino-2,3-Dehydro Sitagliptin/(2E)-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
[EINECS(EC#)]

604-604-1
[Molecular Formula]

C16H12F6N4O
[MDL Number]

MFCD28972394
[MOL File]

1253056-18-6.mol
[Molecular Weight]

390.28
Chemical PropertiesBack Directory
[Boiling point ]

517.5±60.0 °C(Predicted)
[density ]

1.52±0.1 g/cm3(Predicted)
[storage temp. ]

Hygroscopic, -20°C Freezer, Under inert atmosphere
[solubility ]

DMSO (Slightly), Methanol
[form ]

Solid
[pka]

-0.06±0.20(Predicted)
[color ]

Colourless to Pale Yellow Gel to Waxy
[Stability:]

Hygroscopic
[Major Application]

pharmaceutical small molecule
[InChI]

InChI=1S/C16H12F6N4O/c17-10-7-12(19)11(18)6-9(10)2-1-3-14(27)25-4-5-26-13(8-25)23-24-15(26)16(20,21)22/h1,3,6-7H,2,4-5,8H2/b3-1+
[InChIKey]

QSSHJJFVCWMIKH-HNQUOIGGSA-N
[SMILES]

C(N1CCN2C(C(F)(F)F)=NN=C2C1)(=O)/C=C/CC1=CC(F)=C(F)C=C1F
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Uses]

3-Desamino-2,3-dehydro Sitagliptin is an impurity of Sitagliptin (S491000); a trizolopyrazine dipeptidyl peptidase IV inhibitor. Sitagliptin has recently been approved for the therapy of type II diabetes.
Spectrum DetailBack Directory
[Spectrum Detail]

Sitagliptin DeaMino IMpurity 1(1253056-18-6)13CNMR
Sitagliptin DeaMino IMpurity 1(1253056-18-6)19FNMR
1253056-18-6 suppliers list
Company Name: Standardpharm Co. Ltd.
Tel: 86-714-3992388
Website: www.standardpharm.com
Company Name: BOC Sciences
Tel: +1-631-485-4226
Website: https://www.bocsci.com/
Company Name: Career Henan Chemica Co
Tel: +86-0371-86658258 +8613203830695 , +8613203830695
Website: www.coreychem.com/
Company Name: ANHUI WITOP BIOTECH CO., LTD
Tel: +8615255079626 , +8615255079626
Website: www.chemicalbook.com/ShowSupplierProductsList418627/0_EN.htm
Company Name: Hangzhou Huarong Pharm Co., Ltd.
Tel: 571-86758373 +8613588754946 , +8613588754946
Website: https://www.huarongpharm.com/
Company Name: sgtlifesciences pvt ltd
Tel: +8617013299288 , +8617013299288
Website: https://www.chemicalbook.com/ShowSupplierProductsList1846349/0.htm
Company Name: Hebei Chuanghai Biotechnology Co., Ltd
Tel: +8615531151365 , +8615531151365
Website: www.chuanghaibio.com
Company Name: HANGZHOU LEAP CHEM CO., LTD.
Tel: +86-571-87711850
Website: www.leapchem.com
Company Name: Shanghai Acmec Biochemical Technology Co., Ltd.
Tel: +86-18621343501; +undefined18621343501 , +undefined18621343501
Website: http://www.acmec.com.cn/
Company Name: SHANGHAI KEAN TECHNOLOGY CO., LTD.
Tel: +8613817748580 , +8613817748580
Website: www.kean-chem.com
Company Name: Moxin Chemicals
Tel: +86-17320513646 +8617320513646 , +8617320513646
Website: www.molcoo.com/
Company Name: Pure Research Chemicals
Tel: +86-13564847951 +86-18019592524 , +86-18019592524
Website: http://www.purerechem.com/
Company Name: Soochow Chirally Material Science and Technology Co.,Ltd
Tel: +86-51266834346 +86-17751128648 , +86-17751128648
Website:
Company Name: Sinco Pharmachem (ShenZhen) R&D Co., Ltd.
Tel: +undefined18603013401 , +undefined18603013401
Website:
Company Name: Amadis Chemical Company Limited
Tel: 571-89925085
Website: http://www.amadischem.com
Company Name: QUALITY CONTROL SOLUTIONS LTD.
Tel: +86-0755-66853366 +86-13670046396 , +86-13670046396
Website: https://www.qcsrm.com
Company Name: Clickchem Research LLP  
Tel: +91-8140031133
Website: www.clickchemresearch.com
Company Name: LANSPHARMA  
Tel: +91-9000766909
Website: www.lanspharma.com
Tags:1253056-18-6 Related Product Information
922178-94-7 486460-32-6 851307-12-5 2088771-62-2 2805078-75-3 769195-26-8 847445-81-2 764667-65-4 1253055-92-3 1675201-14-5 762240-92-6 945261-46-1 1351498-25-3 1334244-24-4 1334244-28-8 654671-78-0 881995-69-3 936630-57-8