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Sitagliptin

CAS 486460-32-6C16H15F6N5OMW 407.31

Sitagliptin（CAS 486460-32-6）：分子式 C16H15F6N5O、分子量 407.31；类别 有机化学品。

规格参数

CAS号486460-32-6
分子式C16H15F6N5O
分子量407.31
LogP1.5
应用领域Uses: MEDICATION、Hypoglycemic Agents、Use (kg、approx.) in Germany (2009): >5000、Consumption (g per capita、approx.) in Germany (2009): 0.0611、Excretion rate: 0.79、Calculated removal (%): 1.9、Methods of Manufacturing: Preparation: S. D. Edmondson et al、World Intellectual Property Organization patent 03004498、eidem、United States of America patent 6699871 (2003、2004 both to Merck & Co).、Formulations、Preparations: Table: Sitagliptin Phosphate Preparations [Table#7210]、Table: Sitagliptin Phosphate Combinations Preparations [Table#7211]、Xelevia、Sitagliptin monophosphate monohydrate、Tesavel
类别Organic Chemicals

用途与场景

登记用途：Uses: MEDICATION、Hypoglycemic Agents、Use (kg、approx.) in Germany (2009): >5000、Consumption (g per capita、approx.) in Germany (2009): 0.0611、Excretion rate: 0.79、Calculated removal (%): 1.9、Methods of Manufacturing: Preparation: S. D. Edmondson et al、World Intellectual Property Organization patent 03004498、eidem、United States of America patent 6699871 (2003、2004 both to Merck & Co).、Formulations、Preparations: Table: Sitagliptin Phosphate Preparations [Table#7210]、Table: Sitagliptin Phosphate Combinations Preparations [Table#7211]、Xelevia、Sitagliptin monophosphate monohydrate、Tesavel。

采购档案

这个产品是什么

Sitagliptin 是一种以碳骨架为基础的有机化合物，登记 CAS 号为 486460-32-6，分子式 C16H15F6N5O（分子量 407.31），归属于有机化学品大类化工原料。

识别信息

登记 CAS 号：486460-32-6

其分子式 C16H15F6N5O 由 16 个碳、15 个氢、6 个氟、5 个氮、1 个氧 组成。

别名/同义词：Sitagliptin · Sitagliptin monohydrate

所属分类：有机化学品

常见问题

Sitagliptin 的 CAS 号是多少？

Sitagliptin 的 CAS 登记号为 486460-32-6。

Sitagliptin 的分子式与分子量是多少？

分子式 C16H15F6N5O，分子量 407.31。

Sitagliptin 还有哪些别名？

别名/同义词：Sitagliptin、Sitagliptin monohydrate。

Sitagliptin 的登记用途是什么？

登记用途：Uses: MEDICATION、Hypoglycemic Agents、Use (kg、approx.) in Germany (2009): >5000、Consumption (g per capita、approx.) in Germany (2009): 0.0611、Excretion rate: 0.79、Calculated removal (%): 1.9、Methods of Manufacturing: Preparation: S. D. Edmondson et al、World Intellectual Property Organization patent 03004498、eidem、United States of America patent 6699871 (2003、2004 both to Merck & Co).、Formulations、Preparations: Table: Sitagliptin Phosphate Preparations [Table#7210]、Table: Sitagliptin Phosphate Combinations Preparations [Table#7211]、Xelevia、Sitagliptin monophosphate monohydrate、Tesavel。

Sitagliptin 属于哪个分类？

所属分类：Organic Chemicals。

PubChem 公开数据

Sitagliptin（CAS 486460-32-6）的公开数据库记录，列此仅供独立核对。

危险化学品分类与危害说明

GHS notification summary2.4% (1 / 41)
Reported hazard statementsH302 (92.7%), H318 (87.8%), H373 (95.1%)

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

H302 (92.7%): Harmful if swallowed [Warning Acute toxicity, oral]

法规与备案状态

GHS notification summary2.4% (1 / 41)

物理形态与操作说明

  • Solid
  • Viscous liquid
  • Stable if stored as directed; avoid strong oxidizing agents. /Sitagliptin phosphate monohydrate/
  • Thermal decomposition may produce toxic gases such as carbon monoxide, carbon dioxide, and nitrogen oxides. /Sitagliptin phosphate monohydrate/
  • MW: 523.32. White to off-white crystalline, non-hygroscopic powder. Soluble in water and N,N-dimethyl formamide; slightly soluble in methanol; very slightly soluble in ethanol, acetone, and acetonitrile; insoluble in isopropanol and isopropyl acetate. /Sitagliptin phosphate monohydrate/
  • Sitagliptin inhibits DPP-4 which leads to increased levels of glucagon-like peptide-1 (GLP-1) and glucose-dependent insulinotropic polypeptide(GIP), decreased levels of glucagon, and a stronger insulin response to glucose.

公开数据库收录的理化数据

溶解度3.40e-02 g/L
LogP1.5

这个物质在各数据库里的编号

CAS Registry Number486460-32-6
PubChem CID4369359
分子式C16H15F6N5O
IUPAC 名称(3R)-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
UNII（FDA）QFP0P1DV7Z

数据库记载的用途

  • Use (kg; approx.) in Germany (2009): >5000
  • Consumption (g per capita; approx.) in Germany (2009): 0.0611
  • Preparation: S. D. Edmondson et al, World Intellectual Property Organization patent 03004498; eidem, United States of America patent 6699871 (2003, 2004 both to Merck & Co).
  • Sitagliptin is indicated as an adjunct to diet and exercise to improve glycemic control in adults with type 2 diabetes mellitus. It is not used to treat type 1 diabetes or patients with a history of pancreatitis. It is also used in combination with [metformin] or [ertugliflozin].
  • Sitagliptin is a dipeptidyl peptidase-4 (DPP-4) inhibitor which is used in combination with diet and exercise in the therapy of type 2 diabetes, either alone or in combination with other oral hypoglycemic agents. Only rare isolated reports of liver injury due to sitagliptin have been published.
  • Breast Feeding; Lactation; Milk, Human; Hypoglycemic Agents; Incretins; Dipeptidyl-Peptidase IV Inhibitors; DPP-4 Inhibitors

它在各数据库里的别名

Sitagliptin; 486460-32-6; Januvia; Zituvio; sitagliptina; sitagliptine; LEZ763; sitagliptinum; QFP0P1DV7Z; LEZ-763; CHEBI:40237; DTXSID70197572; ZITUVIMET COMPONENT SITAGLIPTIN; RefChem:6227; DTXCID30120063; 690-730-1

计算机算出的分子描述符

分子量407.31
XLogP30.7
氢键供体数1
氢键受体数10
可旋转键数4
精确质量407.11807909
单同位素质量407.11807909
拓扑极性表面积77
重原子数28
形式电荷0

数据库摘要

Sitagliptin · CAS 486460-32-6 · C16H15F6N5O. UNII QFP0P1DV7Z. 溶解度: 3.40e-02 g/L; LogP: 1.5.

数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。

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