Boc-saxagliptin

HCID 51358360

기본 정보

CAS
709031-43-6
표준 SMILES
CC(C)(C)OC(=O)N[C@H](C(=O)N1[C@H](C#N)C[C@@H]2C[C@@H]21)C12CC3CC(CC(O)(C3)C1)C2
InChIKey
DZEAFYQJPRVNIQ-FPXKHEBGSA-N
분자식
C23H33N3O4
평균 분자량
415.5 g/mol
단동위원소 질량
415.24710654

이름 및 식별자

우선 이름
Boc-saxagliptin
IUPAC
tert-butyl N-[(1S)-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]carbamate
영어명
N-[(1S)-2-[(1S,3S,5S)-3-Cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-2-oxoethyl]carbamic acid 1,1-dimethylethyl ester
분자식
C23H33N3O4
분자량
415.53

이름 및 동의어

Boc-Saxagliptin709031-43-6RefChem:330062Saxagliptin Impurity 21tert-Butyl [(1S)-2-((1S,3S,5S)-3-Cyano-2-azabicyclo[3.1.0]hex-2-yl)-1-(3-hydroxytricyclo[3.3.1.1(3,7)]dec-1-yl)-2-oxoethyl]carbamate6C6HNK5KEFSCHEMBL3508104DTXSID10694893DZEAFYQJPRVNIQ-FPXKHEBGSA-Ntert-butyl ((S)-2-((1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-((1r,3R,5R,7S)-3-hydroxyadamantan-1-yl)-2-oxoethyl)carbamateAKOS015901456NS00008332
이름 더 보기
Saxagliptin Impurity 60Saxagliptin interMediate 4SXG-III Impurity of SaxagliptinSaxagliptin BOC Protected ImpuritySaxagliptin Hydrochloride(Dihydrate) BOC protectedtert-Butyl [(1S)-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]he...N-[(1S)-2-[(1S,3S,5S)-3-Cyano-2-azabicyclo[3.1.0]hex-2-yl]-1-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)ert-butylN-[2-(3-cyano-2-azabicyclo[3.1.0]hexan-2-yl)-1-(3-hydroxy-1-adamantyl)-2-oxoethyl]carbamatetert-Butyl [(1S)-2-((1S,3S,5S)-3-Cyano-2-azabicyclo[3.1.0]hex-2-yl)-1-(3-hydroxytricyclo[3.3.1.1(3,7
3-cyano-(alphaS)-alpha-(3-hydroxytricyclo[3.3.1.13,7)dec-1-yl)-beta-oxo-(1S ,3S,5S)-2-azabicyclo[3.1.0]hexane-2-ethanecarbamic acid, 1,1-dimethylethyl ester3-cyano-(alphaS)-alpha-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-beta-oxo-(1S,3S,5S)-2-azabicyclo[3.1.0]hexane-2-ethanecarbamic acid, 1,1-dimethylethyl esterCarbamic acid, N-a[(1S)a-a2-a[(1S,a3S,a5S)a-a3-acyano-a2-aazabicyclo[3.1.0]ahex-a2-ayl]a-a1-a(3-ahydroxytricyclo[3.3.a1.13,a7]adec-a1-ayl)a-a2-aoxoethyl]a-a, 1,a1-adimethylethyl estertert-Butyl [(1S)-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-1-(3-hydroxyadamantan-1-yl)-2-oxoethyl]carbamatetert-butyl N-[(1S)-2-[(1S,3S,5S)-3-cyano-2-azabicyclo[3.1.0]hexan-2-yl]-1-(3-hydroxyadamantan-1-yl)-2-oxoethyl]carbamate

데이터베이스 식별자

CAS
709031-43-6
PubChem CID
51358360
DTXSID
DTXSID10694893
UNII
6C6HNK5KEF

물성

구조 계산 물성

XLogP
2.4
극성 표면적
103 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
5
회전 가능 결합 수
5
무거운 원자 수
30

물리화학적 성질

끓는 점
624.7 · 624.7±40.0 °C(Predicted)
밀도
1.29 · 1.29
산도 계수 (pKa)
11.45 · 11.45±0.46(Predicted)
물리적 상태
가루
LogP
77.2 at · 77.2 at 23℃

안전 및 규제

안전 데이터

신호 어
Warning
유해·위험 문구
암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

공급사56 곳

山东玖玥生物科技有限公司15553333686
艾吉析科技(上海)有限公司17717235263 · [email protected]
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]

관련 반응

7건

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