vitamin D₂ | 50-14-6

• 物质功能分类: 原料药 - 维生素类与矿物质类药 - 维生素AD类药
• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: vitamin D₂
• 英文别名: ergocaalcipherol；ergocalciferol；deltaline；Pharmakon1600-01500276；(1S,3Z)-3-[(2E)-2-[(3aS,7aR)-1-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
• CAS: 50-14-6；51744-66-2；61177-68-2；116559-84-3；137174-35-7
• 化学式: C₂₈H₄₄O
• 分子量: 396.657
• InChiKey: MECHNRXZTMCUDQ-CIFSABHRSA-N

物化性质

• 熔点：
  114-118 °C(lit.)
• 比旋光度：
  82 º (c=3, in acetone 25 ºC)
• 沸点：
  460.3°C (rough estimate)
• 密度：
  0.9784 (rough estimate)
• 闪点：
  14 °C
• 溶解度：
  在水中的溶解度200 mg/mL,清澈至浑浊
• LogP：
  10.440 (est)
• 物理描述：
  Ergocalciferol appears as odorless white crystals. Used as a dietary supplement and food additive. (EPA, 1998)
• 颜色/状态：
  Prisms from acetone
• 气味：
  Odorless
• 味道：
  Medications associated with a metallic or bitter taste include ... vitamin D.
• 稳定性/保质期：
  Deterioration of pure crystal is negligible after storage of /9 mo/ in amber evacuated ampuls at refrigerator temperature. /Vitamin D3/
• 旋光度：
  Specific optical rotation: +82.6 @ 25 °C/D (c= 3 in acetone); +102.5 @ 20 °C/D (alcohol); specific optical rotation: +52 @ 20 °C/D (chloroform); UV max absorption (hexane): 264.5 nm (e= 458.9 +/- 7.5, 1%, 1 cm)

计算性质

• 辛醇/水分配系数(LogP)：
  7.4
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  20.2
• 氢给体数：
  1
• 氢受体数：
  1

安全信息

• TSCA：
  Yes
• 危险等级：
  6.1(a)
• 危险品标志：
  T+
• 安全说明：
  S26,S28,S28A,S36,S36/37,S45
• 危险类别码：
  R26,R48/25,R24/25
• WGK Germany：
  3
• 海关编码：
  29362900
• 危险品运输编号：
  UN 2811 6.1/PG 2
• RTECS号：
  KE1050000
• 包装等级：
  II
• 危险类别：
  6.1(a)
• 危险标志：
  GHS06,GHS08
• 危险性描述：
  H301 + H311,H330,H372
• 危险性防范说明：
  P260,P280,P302 + P352 + P312,P304 + P340 + P310,P403 + P233

制备方法与用途

根据您提供的信息,维生素D2（麦角钙化醇）主要用于以下方面:

1. 预防和治疗小儿佝偻病及成人骨质软化症

2. 保持钙和磷的代谢正常,促进机体对钙和磷的吸收

3. 营养强化食品:

• 人造奶油:最大使用量为125~156μg/kg
• 乳制品:63~125μg/kg
• 婴幼儿食品:50~100μg/kg
• 乳及乳饮料:10~40μg/kg
• 固体饮料和冰淇淋:10~20μg/kg

4. 化学性质:

• 白色针状结晶或结晶性粉末,无臭无味
• 易溶于乙醇、乙醚等有机溶剂
• 遇氧或光照活性降低

5. 生产方法:

• 从植物油或酵母中提取麦角钙醇,再用紫外线照射转化而成
• 紫外线照射麦角甾醇开环得到维生素D2粗品,再精制得成品

6. 化学结构特征:

• 麦角甾醇经紫外光照射在9,10位键断裂生成维生素D2
• 分子中含有共轭双键,在265nm波长处有最大吸收

综上所述,维生素D2是一种重要的脂溶性维生素,具有促进钙磷代谢、防治佝偻病和骨质软化等作用。

反应信息

• 作为反应物：
  描述：

  vitamin D₂ 、 双酮酞嗪 以 二氯甲烷 为溶剂， 反应 12.0h， 生成 、
  参考文献：
  名称：

  Contreras, Fernando Gomez; Lora-Tamayo, Manuel; Sanz, Ana Maria, Heterocycles, 1987, vol. 25, p. 193 - 200

  摘要：

  DOI：

文献信息

• VITAMIN FUNCTIONALIZED GEL-FORMING BLOCK COPOLYMERS FOR BIOMEDICAL APPLICATIONS
  申请人：INTERNATIONAL BUSINESS MACHINES CORPORATION

  公开号：US20180117162A1

  公开（公告）日：2018-05-03

  Gel-forming block copolymers were prepared comprising i) a central hydrophilic block consisting essentially of a divalent poly(ethylene oxide) chain and ii) two peripheral monocarbonate or polycarbonate hydrophobic blocks linked to the central block by linking groups bearing one or more hydrogen bond forming *—N(H)—* groups. The hydrophobic blocks comprise one or more vitamin-bearing subunits. The gel-forming block copolymers can be used to prepare various biodegradable and/or biocompatible hydrogel and organogel drug compositions, in particular antimicrobial and/or anti-tumor drug compositions. The hydrogel compositions have utility in depot injections for drug delivery. The hydrogen bonding *—N(H)—* group(s) provide longer in vivo lifetime of the hydrogel before degradation and a more prolonged and controlled release rate of a hydrophobic drug compared to similar hydrogels prepared from poly(ethylene glycol).

  制备了包含以下组成部分的凝胶形成嵌段共聚物：i）主要由二价聚乙二醇链组成的中心亲水性块和ii）通过带有一个或多个氢键形成*—N(H)—*基团连接到中心块的两个外周单碳酸酯或多碳酸酯疏水性块。疏水性块包含一个或多个含维生素的亚单位。这些凝胶形成嵌段共聚物可用于制备各种可生物降解和/或生物相容的水凝胶和有机凝胶药物组合物，特别是抗微生物和/或抗肿瘤药物组合物。水凝胶组合物在药物输送的库存注射中具有实用性。与由聚乙二醇制备的类似水凝胶相比，氢键*—N(H)—*基团提供了凝胶在体内降解之前更长的生命周期，以及与水凝胶相比更延长和控制释放速率的疏水性药物。
• Topical Composition And Method Of Forming
  申请人：Grigsby Charles

  公开号：US20080138417A1

  公开（公告）日：2008-06-12

  The present invention provides a topical composition for use in treating medical conditions such as fungal epithelial infections, carpal tunnel syndrome, tendonitis, and arthritis. The topical composition includes a mineral component including a source of calcium and a source of potassium, a vitamin component including a source of ascorbic acid, and an anti-inflammatory component including a source of lysine and a source of glutathione. The topical composition also includes an anti-oxidant component including a source of curcumin and an isoflavone component including a source of ipriflavone. The present invention also provides a method of forming the topical composition. The method includes combining the mineral component, the vitamin component, the anti-inflammatory component, the anti-oxidant component, and the isoflavone component.
• CONTINUOUS PHOTOLYTIC PROCESS FOR THE PREPARATION OF VITAMIN D RELATED SUBSTANCES
  申请人：Bauta William Edward

  公开号：US20130172588A1

  公开（公告）日：2013-07-04

  The present application provides a novel method for generation of a vitamin D2 compound using a continuous flow photoisomerization reactor. A compound represented by formula I: [structure] as further defined herein, is mixed with a solvent and a sensitizer, and is then passed through the continuous flow photoisomerization reactor. If X3 and X4 of formula II is tert-butyldimethylsilyl, then formula II is mixed with a deprotection reagent to obtain the vitamin D2 analog.
• US9987369B2
  申请人：——

  公开号：US9987369B2

  公开（公告）日：2018-06-05
• [EN] VITAMIN D COMPOUNDS FOR THE TREATMENT OF BILIARY DISEASES<br/>[FR] COMPOSÉS DE VITAMINE D POUR LE TRAITEMENT DE MALADIES BILIAIRES
  申请人：INST NAT SANTE RECH MED

  公开号：WO2009115398A1

  公开（公告）日：2009-09-24

  The present invention relates to uses, methods and compositions for treating or preventing biliary diseases such as primary sclerosing cholangitis (PSC). More specifically, the invention relates to a vitamin D compound for treating or preventing biliary diseases. The invention encompasses the use of said vitamin D compound in combination with ursodeoxycholic acid.