rac-시타글립틴

3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one

HCID 11306691

기본 정보

CAS
823817-56-7
표준 SMILES
NC(CC(=O)N1CCn2c(nnc2C(F)(F)F)C1)Cc1cc(F)c(F)cc1F
InChIKey
MFFMDFFZMYYVKS-UHFFFAOYSA-N
분자식
C16H15F6N5O
평균 분자량
407.31 g/mol

이름 및 식별자

우선 이름
3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
IUPAC
3-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
현지명
rac-시타글립틴
영어명
rac-Sitagliptin
분자식
C16H15F6N5O
분자량
407.31

이름 및 동의어

3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro(1,2,4)triazolo(4,3-a)pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-oneRefChem:1067280DTXCID80205354DTXSID00870361rac-Sitagliptin823817-56-7(Rac)-Sitagliptin3-Amino-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one3-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-one7-[1-Oxo-3-amino-4-(2,4,5-trifluorophenyl)butyl]-3-(trifluoromethyl)-5,6,7,8-tetrahydro-1,2,4-triazolo[4,3-a]pyrazine790712-60-6(?)-Sitagliptin-d4 (hydrochloride)
이름 더 보기
rac-시타글립틴rac-Sitagliptin-d47-[3-Amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazineSitagliptin chiral isomer3-a]pyrazin-7(8H)-yl]-4-(2rac-SitagliptinSee: S4910005-trifluorophenyl)-1-butanone3-Amino-1-[3-(trifluoromethyl)-57-[3-Amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-α]pyrazine
Rac SitagliptinSitagliptin impurity EUS8785477, SitagliptinSCHEMBL174489Discontinued, see S491045orb3143342X9M873A9NGCHEMBL3185489

데이터베이스 식별자

CAS
823817-56-7
PubChem CID
11306691
ChEMBL
CHEMBL3185489
UNII
X9M873A9NG
Nikkaji
J3.337.970F

물성

구조 계산 물성

XLogP
0.7
극성 표면적
77 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
10
회전 가능 결합 수
4
무거운 원자 수
28

실험 및 물리화학적 성질

DrugsPharmaceuticals

물리화학적 성질

끓는 점
529.9 · 529.9±60.0 °C(Predicted)
밀도
1.61 · 1.61±0.1 g/cm3(Predicted)
저장 조건
Refrigerator
용해도
DMSO, 에틸아세테이트, 메탄올에 용해됨
산도 계수 (pKa)
7.2 · 7.20±0.10(Predicted)
물리적 상태
기름

화학적 성질

Light Brown Syrup

화학 및 산업

응용 분야

용도A trizolopyrazine dipeptidyl peptidase IV inhibitor. It has recently been approved for the therapy of type II diabetes.

공급사49 곳

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
HubeiwidelychemicaltechnologyCo.,Ltd18627774460 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

관련 반응

47건

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