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沙克列汀 | 361442-04-8

沙克列汀
Saxagliptin
361442-04-8
C18H25N3O2
315.41
如需查看该化合物的详细结构式,mol文件,smile,InChi 请点击:沙克列汀结构式
11243969
沙克列汀价格
简介
中文名称 沙克列汀
别名 (1S,3S,5S)-2-[(2S)-2-氨基-2-(3-羟基三环[3.3.1.13,7]癸烷-1-基)乙酰基]-2-氮杂双环[3.1.0]己烷-3-腈
英文别名 (1S,3S,5S)-2-[(2S)-2-Amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile; BMS 477118; Onglyza
名称和标识符
MDL MFCD12756398
InChIKey QGJUIPDUBHWZPV-SGTAVMJGSA-N
Inchi InChI=1S/C18H25N3O2/c19-8-13-2-12-3-14(12)21(13)16(22)15(20)17-4-10-1-11(5-17)7-18(23,6-10)9-17/h10-15,23H,1-7,9,20H2/t10?,11?,12-,13+,14+,15-,17?,18?/m1/s1
SMILES N#C[C@@H]1C[C@]2([H])[C@](C2)([H])N1C([C@H]([C@@]34C[C@@H]5C[C@H](C4)C[C@](C5)(O)C3)N)=O
别名信息
- 中文别名 -
  • 沙克列汀
  • (1S,3S,5S)-2-[(2S)-2-氨基-2-(3-羟基三环[3.3.1.13,7]癸烷-1-基)乙酰基]-2-氮杂双环[3.1.0]己烷-3-腈
  • 沙格列汀
  • 沙格列汀TFA盐
  • 沙格列汀标准品
  • 沙格列汀标准品及杂质
  • 沙格列汀对照品及相关杂质
  • 沙格列汀三氟乙酸盐
  • 沙格列汀杂质
  • 沙格列汀杂质及标准品
  • 沙克列汀一水合物
  • 沙克列汀杂质
  • 盐酸沙格列汀(碱)
  • 沙格列汀-13C,D2TFA盐
  • (1S,3S,5S)-2-[(2S)-2-氨基-2-(3-羟基三环[3.3.1.1(3,7)]癸烷-1-基)乙酰基]-2-氮杂双环[3.1.0]己烷-3-腈
- 英文别名 -
  • Saxagliptin
  • (1S,3S,5S)-2-[(2S)-2-Amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
  • BMS 477118
  • Onglyza
  • Saxagliptin Onglyza BMS 477118
  • Saxagliptin Hydrochloride(free base)
  • Saxagliptin
  • (1R,3S,5R)-2-((S)-2-amino-2-((1r,3R,5R,7S)-3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile
  • BMS-477118
  • (1S,3S,5S)-2-[(2S)-2-Amino-2-(3-hydroxytricyclo[3.3.1.1(3,7)]dec-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
  • 2-azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2S)-2-amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, (1S,3S,5S)
  • (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-1-oxoethyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
  • (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)-1-oxoethyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
  • AB01562984_01
  • AB01562984_01
  • AB01562984_01
  • AB01562984_02
  • AB01562984_02
  • AB01562984_02
  • NSC760407
  • NSC760407
  • NSC760407
  • D08996
  • D08996
  • D08996
  • AC-6008
  • AC-6008
  • (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
  • 2,2,2-trifluoroacetic acid
  • (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
  • 2,2,2-trifluoroacetic acid
  • AC-6008
  • BDBM11542
  • (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
  • 2,2,2-trifluoroacetic acid
  • BDBM11542
  • OPC 262
  • BDBM11542
  • OPC 262
  • DTXCID3028506
  • OPC 262
  • DTXCID3028506
  • DTXCID3028506
  • Z2235802036
  • Z2235802036
  • Z2235802036
  • (1S,3S,5S)-2-((2S)-AMINO(3-HYDROXYTRICYCLO(3.3.1.1(SUP 3,7))DEC-1-YL)ACETYL)-2-AZABICYCLO(3.1.0)HEXANE-3-CARBONITRILE
  • (1S,3S,5S)-2-((2S)-AMINO(3-HYDROXYTRICYCLO(3.3.1.1(SUP 3,7))DEC-1-YL)ACETYL)-2-AZABICYCLO(3.1.0)HEXANE-3-CARBONITRILE
  • (1S,3S,5S)-2-((2S)-AMINO(3-HYDROXYTRICYCLO(3.3.1.1(SUP 3,7))DEC-1-YL)ACETYL)-2-AZABICYCLO(3.1.0)HEXANE-3-CARBONITRILE
  • HMS3264P11
  • HMS3264P11
  • HMS3264P11
  • (1S,3S,5S)-2-((2S)-Amino(3-hydroxytricyclo(3.3.1.13,7)dec-1-yl)acetyl)-2-azabicyclo(3.1.0)hexane-3-carbonitrile
  • (1S,3S,5S)-2-((2S)-Amino(3-hydroxytricyclo(3.3.1.13,7)dec-1-yl)acetyl)-2-azabicyclo(3.1.0)hexane-3-carbonitrile
  • (1S,3S,5S)-2-((2S)-Amino(3-hydroxytricyclo(3.3.1.13,7)dec-1-yl)acetyl)-2-azabicyclo(3.1.0)hexane-3-carbonitrile
  • SAXAGLIPTIN [WHO-DD]
  • SAXAGLIPTIN [WHO-DD]
  • SAXAGLIPTIN [WHO-DD]
  • AKOS015896547
  • AKOS015896547
  • AKOS015896547
  • EX-7795
  • EX-7795
  • EX-7795
  • GTPL6316
  • GTPL6316
  • GTPL6316
  • DB06335
  • DB06335
  • DB06335
  • AM20090693
  • AM20090693
  • AM20090693
  • BRD-A81513827-001-03-6
  • BRD-A81513827-001-03-6
  • DTXSID7048580
  • BRD-A81513827-001-03-6
  • DTXSID7048580
  • DTXSID7048580
  • BDBM50225074
  • BDBM50225074
  • CCG-213084
  • BDBM50225074
  • CCG-213084
  • (1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1-yl)-acetyl]-2-aza-bicyclo[3.1.0]hexane-3-carbonitrile
  • CCG-213084
  • (1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1-yl)-acetyl]-2-aza-bicyclo[3.1.0]hexane-3-carbonitrile
  • (1S,3S,5S)-2-[(S)-2-amino-2-(3-hydroxy-adamantan-1-yl)-acetyl]-2-aza-bicyclo[3.1.0]hexane-3-carbonitrile
  • Q3121121
  • Q3121121
  • s1540
  • Q3121121
  • s1540
  • 2-Azabicyclo(3.1.0)hexane-3-carbonitrile, 2-((2S)-amino(3-hydroxytricyclo(3.3.1.13,7)dec-1-yl)acetyl) , (1S,3S,5S)-
  • s1540
  • 2-Azabicyclo(3.1.0)hexane-3-carbonitrile, 2-((2S)-amino(3-hydroxytricyclo(3.3.1.13,7)dec-1-yl)acetyl) , (1S,3S,5S)-
  • 8I7IO46IVQ
  • 2-Azabicyclo(3.1.0)hexane-3-carbonitrile, 2-((2S)-amino(3-hydroxytricyclo(3.3.1.13,7)dec-1-yl)acetyl) , (1S,3S,5S)-
  • CCG-267647
  • 8I7IO46IVQ
  • 8I7IO46IVQ
  • CCG-267647
  • CCG-267647
  • NCGC00242597-10
  • NCGC00242597-10
  • NCGC00242597-10
  • 1073057-20-1
  • 1073057-20-1
  • SAXAGLIPTIN [MI]
  • 1073057-20-1
  • SAXAGLIPTIN [MI]
  • SAXAGLIPTIN [MI]
  • 2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2S)-2-amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, (1S,3S,5S)-
  • 2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2S)-2-amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, (1S,3S,5S)-
  • 2-Azabicyclo[3.1.0]hexane-3-carbonitrile, 2-[(2S)-2-amino-2-(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, (1S,3S,5S)-
  • 2-Azabicyclo[3.1.0]hexane-3-carbonitrile,2-[(2S)-amino(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, (1S,3S,5S)-
  • 2-Azabicyclo[3.1.0]hexane-3-carbonitrile,2-[(2S)-amino(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, (1S,3S,5S)-
  • 2-Azabicyclo[3.1.0]hexane-3-carbonitrile,2-[(2S)-amino(3-hydroxytricyclo[3.3.1.13,7]dec-1-yl)acetyl]-, (1S,3S,5S)-
  • (S)-3-Hydroxyadamantylglycine-L-cis-4,5-methanoprolinenitrile TFA salt
  • (S)-3-Hydroxyadamantylglycine-L-cis-4,5-methanoprolinenitrile TFA salt
  • Tox21_112908
  • (S)-3-Hydroxyadamantylglycine-L-cis-4,5-methanoprolinenitrile TFA salt
  • Tox21_112908
  • Tox21_112908
  • (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
  • (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
  • (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxyadamantan-1-yl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
  • (1S,6S)-2-(2-adamantan-1-yl-2-amino-acetyl)-2-aza-bicyclo[3.1.0]hexane-3-carbonitrile
  • (1S,6S)-2-(2-adamantan-1-yl-2-amino-acetyl)-2-aza-bicyclo[3.1.0]hexane-3-carbonitrile
  • CHEMBL385517
  • (1S,6S)-2-(2-adamantan-1-yl-2-amino-acetyl)-2-aza-bicyclo[3.1.0]hexane-3-carbonitrile
  • CHEMBL385517
  • CHEMBL385517
  • SCHEMBL17168
  • SCHEMBL17168
  • SCHEMBL17168
  • EN300-761487
  • EN300-761487
  • CAS-361442-04-8
  • EN300-761487
  • CAS-361442-04-8
  • CAS-361442-04-8
  • (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
  • (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
  • MLS006011223
  • (1S,3S,5S)-2-[(2S)-2-amino-2-(3-hydroxy-1-adamantyl)acetyl]-2-azabicyclo[3.1.0]hexane-3-carbonitrile
  • HY-10285
  • MLS006011223
  • MLS006011223
  • HY-10285
  • NCGC00242597-02
  • HY-10285
  • NCGC00242597-02
  • Saxagliptin anhydrous
  • NCGC00242597-02
  • OPC-262
  • Saxagliptin anhydrous
  • Saxagliptin anhydrous
  • OPC-262
  • QGJUIPDUBHWZPV-SGTAVMJGSA-N
  • OPC-262
  • QGJUIPDUBHWZPV-SGTAVMJGSA-N
  • QGJUIPDUBHWZPV-SGTAVMJGSA-N
  • (1S,3S,5S)-2-((2S)-2-Amino-2-(3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile
  • (1S,3S,5S)-2-((2S)-2-Amino-2-(3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile
  • (1S,3S,5S)-2-((2S)-2-Amino-2-(3-hydroxyadamantan-1-yl)acetyl)-2-azabicyclo[3.1.0]hexane-3-carbonitrile
  • HSDB 8199
  • HSDB 8199
  • HSDB 8199
  • UNII-8I7IO46IVQ
  • UNII-8I7IO46IVQ
  • UNII-8I7IO46IVQ
  • 361442-04-8
  • 361442-04-8
  • 361442-04-8
  • CHEBI:71272
  • CHEBI:71272
  • CHEBI:71272
  • Saxagliptin [INN]
  • Saxagliptin [INN]
  • Saxagliptin [INN]
  • NCGC00242597-01
  • NCGC00242597-01
  • NCGC00242597-01
  • SCHEMBL20243458
  • SCHEMBL20243458
  • SCHEMBL20243458
  • Pharmakon1600-01502500
  • Pharmakon1600-01502500
  • Pharmakon1600-01502500
  • Saxagliptin (BMS-477118,Onglyza)
  • Saxagliptin (BMS-477118,Onglyza)
  • Saxagliptin (BMS-477118,Onglyza)
  • Saxagliptin (USAN/INN)
  • Saxagliptin (USAN/INN)
  • Saxagliptin (USAN/INN)
  • CS-0650
  • CS-0650
  • CS-0650
  • SMR004702984
  • SMR004702984
  • SMR004702984
  • 2-AZABICYCLO(3.1.0)HEXANE-3-CARBONITRILE, 2-((2S)-AMINO(3-HYDROXYTRICYCLO(3.3.1.1(SUP 3,7))DEC-1-YL)ACETYL), (1S,3S,5S)-
  • 2-AZABICYCLO(3.1.0)HEXANE-3-CARBONITRILE, 2-((2S)-AMINO(3-HYDROXYTRICYCLO(3.3.1.1(SUP 3,7))DEC-1-YL)ACETYL), (1S,3S,5S)-
  • 2-AZABICYCLO(3.1.0)HEXANE-3-CARBONITRILE, 2-((2S)-AMINO(3-HYDROXYTRICYCLO(3.3.1.1(SUP 3,7))DEC-1-YL)ACETYL), (1S,3S,5S)-
  • Saxagliptine
  • Saxagliptine
  • Saxagliptine
物化性质
实验特性
LogP 1.79618
PSA 90.35000
沸点 548.7±35.0 °C at 760 mmHg
熔点 103 - 107°C
蒸气压 0.0±3.3 mmHg at 25°C
闪点 548.7℃
溶解度 DMSO (Slightly), Methanol (Sparingly)
密度 1.35
计算特性
精确分子量 315.19500
氢键供体数量 2
氢键受体数量 5
可旋转化学键数量 3
同位素质量 315.19467705g/mol
重原子数量 23
复杂度 609
同位素原子数量 0
确定原子立构中心数量 4
不确定原子立构中心数量 2
确定化学键立构中心数量 0
不确定化学键立构中心数量 0
共价键单元数量 1
疏水参数计算参考值(XlogP) 0.7
拓扑分子极性表面积 90.4Ų
海关数据
海关编码 2933990090
海关数据

中国海关编码:

2933990090

概述:

2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%

申报要素:

品名, 成分含量, 用途, 乌洛托品请注明外观, 6-己内酰胺请注明外观, 签约日期

Summary:

2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

相关文献
专业数据库参考
PubChemId 11243969
参考资料
Reaxys RN
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