기본 정보
- CAS
1955514-80-3- 표준 SMILES
CC#CCn1c(N2CCCC(NC(N)=O)C2)nc2c1c(=O)n(Cc1nc(C)c3ccccc3n1)c(=O)n2C- InChIKey
QWRPIDPNVOGFFM-UHFFFAOYSA-N- 분자식
- C26H29N9O3
- 평균 분자량
- 515.6 g/mol
- 단동위원소 질량
- 515.23933582
이름 및 식별자
- 우선 이름
- {1-[7-(but-2-yn-1-yl)-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperidin-3-yl}urea
- IUPAC
- [1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]urea
- 영어명
- Linagliptin impurity 16
- 분자식
- C26H29N9O3
- 분자량
- 515.57
이름 및 동의어
1955514-80-3{1-[7-(but-2-yn-1-yl)-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]piperidin-3-yl}ureaLinagliptin Impurity 1061-(1-(7-(but-2-yn-1-yl)-3-methyl-1-((4-methylquinazolin-2-yl)methyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)piperidin-3-yl)urea[1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxopurin-8-yl]piperidin-3-yl]urea(1-[7-(BUT-2-YN-1-YL)-3-METHYL-1-[(4-METHYLQUINAZOLIN-2-YL)METHYL]-2,6-DIOXO-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL]PIPERIDIN-3-YL)UREAC26H29N9O3FDD51480MFCD30181326EN300-304289I82207[1-[7-but-2-ynyl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-2,6-dioxo-purin-8-yl]-3-piperidyl]urea
이름 더 보기
Linagliptin Imp.CD10925Ligliptin Impurity CD10925Linagliptin N-Aminocarbonyl ImpurityUrea, N-[1-[7-(2-butyn-1-yl)-2,3,6,7-tetrahydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-2,6-dioxo-1H-purin-8-yl]-3-piperidinyl]-8-[(3R)-3-Aminocarbonylamino-1-piperidinyl]-7-(2-butyn-1-yl)-3,7-dihydro-3-methyl-1-[(4-methyl-2-quinazolinyl)methyl]-1H-purine-2,6-dione
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 143 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 995
물리화학적 성질
- 밀도
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 13.47 · 13.47±0.20(Predicted)
- 색상
- 옅은 노란색에서 옅은 베이지까지
화학 및 산업
응용 분야
용도N-Carbamoyl Linagliptin is a derivative of Linagliptin (L465900), a novel potent and selective dipeptidyl peptidase-4 (DPP-4) inhibitor with potential use in the treatment of type 2 diabetes.
공급사33 곳
艾吉析科技（上海）有限公司17717235263 · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
Sinco Pharmachem (ShenZhen) R&D Co., Ltd.+86-18603013401 · [email protected]
山东大有药物研发有限公司[email protected] 15165037910 · [email protected]
廊坊市恒福源医药科技有限公司0316-2883537 19333636468 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
上海柯维化学技术有限公司021-64609169 18901607656 · [email protected]
山东沃德森生物科技有限公司0531-88723173 18596073690 · [email protected]
廊坊市泽康医药科技有限公司0316-2883536 19333636468 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
杭州云易国科生物科技有限公司18457506494 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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