2-羟基丙酸钙盐 | 814-80-2

• 物质功能分类: 有机原料 - 有机金属类化合物 - 有机钙
• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 中文名称: 2-羟基丙酸钙盐
• 英文名称: calcium;2-hydroxypropanoate
• CAS: 814-80-2；5743-48-6；28305-25-1；63690-56-2
• 化学式: C₆H₁₀CaO₆
• 分子量: 218.22
• InChiKey: MKJXYGKVIBWPFZ-UHFFFAOYSA-L

物化性质

• 熔点：
  240 °C
• 密度：
  1.495[at 20℃]
• LogP：
  -1.5 at 20℃
• 物理描述：
  DryPowder
• 颜色/状态：
  White, crystalline powder
• 溶解度：
  48 g/L
• 稳定性/保质期：
  遵照规定使用和储存，则不会发生分解。
• 分解：
  When heated to decomposition it emits acrid smoke and irritating fumes.
• 折光率：
  INDEX OF REFRACTION: 1.470 (ALPHA), 1.510 (GAMMA); ELONGATION: +, EXTINCTION PARALLEL

计算性质

• 辛醇/水分配系数(LogP)：
  -4.15
• 重原子数：
  13
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  121
• 氢给体数：
  2
• 氢受体数：
  6

ADMET

代谢

在肝糖异生过程中，乳酸被转化为葡萄糖。乳酸还可能在乳酸循环中被进一步分解。

In hepatic gluconeogenesis, lactic acid is converted to glucose. Lactic acid may be further catabolyzed in the lactic acid cycle.

来源:DrugBank

代谢

牛饲喂2.5升谷物-紫花苜蓿干草混合物，每天提供545克乳酸钠和乳酸钙，用乳酸钠或17聚乳酸酸培养。醋酸是主要终产品，但乳酸的氧化导致从醋酸合成丁酸。

RUMINAL INGESTA FROM COWS FED 2.5 L GRAIN-ALFALFA HAY MIXT PROVIDING 545 G OF SODIUM LACTATE & CALCIUM LACTATE DAILY INCUBATED WITH SODIUM LACTATE OR 17 POLY LACTIC ACID. ACETATE WAS PRIMARY END PRODUCT BUT OXIDN OF LACTATE CAUSED SYNTH OF BUTYRATE FROM ACETATE.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 相互作用

在治疗手足搐搦症时，乳糖的同时给药似乎能增强其吸收。

IN TREATMENT OF TETANY, ITS ABSORPTION IS APPARENTLY ENHANCED BY SIMULTANEOUS ADMIN OF LACTOSE.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 非人类毒性摘录

乳酸钙以2.5克/千克/天的剂量口服给兔子，持续15天，导致甲状腺实质增生，并且甲状腺小滤泡和滤泡上皮细胞中的RNA含量增加。

CALCIUM LACTATE GIVEN ORALLY TO RABBITS @ 2.5 G/KG/DAY FOR 15 DAYS CAUSED HYPERPLASIA OF THE THYROID PARENCHYMA AND INCR RNA CONTENT IN THE THYROID MICROFOLLICLES AND FOLLICULAR EPITHELIUM.

来源:Hazardous Substances Data Bank (HSDB)

毒理性

• 蛋白质结合

无药物动力学数据可用。

No pharmacokinetic data available.

来源:DrugBank

吸收、分配和排泄

• 吸收

为了被吸收，钙必须处于自由可溶的形式（Ca2+）或与可溶性有机分子结合。钙的吸收主要发生在十二指肠和近端空肠，这是由于pH值更酸性和钙结合蛋白的丰富。在小肠中，平均钙吸收率约为摄入量的25%（范围是10-40%），并且是通过被动扩散和主动运输共同介导的。

In order to be absorbed, calcium must be in its freely soluble form (Ca2+) or bound to a soluble organic molecule. Calcium absorption mainly occurs at the duodenum and proximal jejunum due to more acidic pH and the abundance of the calcium binding proteins. The mean calcium absorption is about 25% of calcium intake (range is 10 – 40%) in the small intestine, and is mediated by both passive diffusion and active transport.

来源:DrugBank

吸收、分配和排泄

• 消除途径

口服给药给人体志愿者后，14小时内，高达3000毫克乳酸剂量中有20至30%通过尿液排出。

Following oral administration to a human volunteer, 20 to 30% of a dose of lactic acid of up to 3000 mg was excreted via the urine during a period of 14 hours.

来源:DrugBank

吸收、分配和排泄

• 分布容积

大多数被吸收的钙（99%）储存在骨骼和牙齿中，以保持结构完整性。

The majority of calcium absorbed (99%) is stored in the skeleton and teeth for structural integrity.

来源:DrugBank

吸收、分配和排泄

• 清除

无药物动力学数据可用。

No pharmacokinetic data available.

来源:DrugBank

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2918110000
• 储存条件：
  请将容器密封保存，并储存在阴凉、干燥的地方。

SDS

Name:	Calcium Lactate Material Safety Data Sheet
Synonym:	Lactic acid, calcium salt; calphosan; conclyte calcium; 2-hydroxypropanoc acid, calcium salt
CAS:	814-80-2

Section 1 - Chemical Product MSDS Name:Calcium Lactate Material Safety Data Sheet
Synonym:Lactic acid, calcium salt; calphosan; conclyte calcium; 2-hydroxypropanoc acid, calcium salt

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
814-80-2	Calcium Lactate	100 %	212-406-7

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Not available.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
Ingestion of large amounts may cause gastrointestinal irritation.
Inhalation:
May cause respiratory tract irritation.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Get medical aid if irritation develops or persists.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid if cough or other symptoms appear.
Notes to Physician:

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Wash hands before eating. Use with adequate ventilation. Avoid contact with skin and eyes. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Keep container closed when not in use.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 814-80-2: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to minimize contact with skin.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Soluble in water.
Specific Gravity/Density: Not available.
Molecular Formula: C6H10O6Ca.5H2O
Molecular Weight: 308.2134

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidants.
Hazardous Decomposition Products:
Carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, calcium oxide.
Hazardous Polymerization: Has not been reported.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 814-80-2: OD4150000 LD50/LC50:
Not available.
Carcinogenicity:
Calcium Lactate - Not listed by ACGIH, IARC, or NTP.
Other:
See actual entry in RTECS for complete information.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Products which are considered hazardous for supply are classified as Special Waste and the disposal of such chemicals is covered by regulations which may vary according to location. Contact a specialist disposal company or the local waste regulator for advice. Empty containers must be decontaminated before returning for recycling.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
WGK (Water Danger/Protection)
CAS# 814-80-2: No information available.
Canada
CAS# 814-80-2 is listed on Canada's DSL List.
CAS# 814-80-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 814-80-2 is listed on the TSCA inventory.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

简介

L-乳酸钙是一种天然活性离子钙，已获得美国食品药品管理局（FDA）批准作为食品使用。其化学分子式为C6H10CaO6·5H2O。由于它具有高钙含量、较大的溶解度、高的吸收率、良好的安全性以及合理的价格，因此备受重视。L-乳酸钙的性状如下图所示。


理化性质

L-乳酸钙是一种重要的有机酸盐，可作为营养增补剂、缓冲剂、面团调节剂和固化剂等。由于乳酸分子中有一个不对称碳原子，因此存在光学异构体，相应的盐类也具有光学异构体；L-乳酸钙为左旋，D-乳酸钙则为右旋。

用途

L-乳酸钙的应用领域广泛，包括：

• 缓冲剂
• 面团调节剂
• 酵母食料
• 营养增补剂
• 固化剂
• 抗氧化增效剂
• 果蔬护色剂
• 调味剂
• 增香剂

反应信息

• 作为反应物：
  描述：

  甘油 、 2-羟基丙酸钙盐 生成 Calcium;2-hydroxypropanoate;propane-1,2,3-triol
  参考文献：
  名称：

  REUL, BERNHARD;PETRI, WALTER

  摘要：

  DOI：
• 作为产物：
  描述：

  alkaline earth salt of/the/ methylsulfuric acid 在 吡啶 、 氯化亚砜 作用下， 生成 2-羟基丙酸钙盐
  参考文献：
  名称：

  Kolbe Electrolyses¹ of Perhydrodiphenic Acids

  摘要：

  DOI：

  10.1021/ja01569a051

文献信息

• [EN] 3,5-DIAMINO-6-CHLORO-N-(N-(4-PHENYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2- CARBOXAMIDE COMPOUNDS<br/>[FR] COMPOSÉS 3,5-DIAMINO -6-CHLORO-N-(N- (4-PHÉNYLBUTYL)CARBAMIMIDOYL) PYRAZINE-2-CARBOXAMIDE
  申请人：PARION SCIENCES INC

  公开号：WO2014099673A1

  公开（公告）日：2014-06-26

  The present invention relates compounds of the formula: or pharmaceutically acceptable salts thereof, useful as sodium channel blockers, as well as compositions containing the same, processes for the preparation of the same, and therapeutic methods of use therefore in promoting hydration of mucosal surfaces and the treatment of diseases including cystic fibrosis, chronic obstructive pulmonary disease, asthma, bronchiectasis, acute and chronic bronchitis, emphysema, and pneumonia.

  本发明涉及以下化合物的公式：或其药学上可接受的盐，用作钠通道阻滞剂，以及含有这些化合物的组合物，制备这些化合物的方法，以及在促进粘膜表面水合和治疗包括囊性纤维化、慢性阻塞性肺病、哮喘、支气管扩张、急性和慢性支气管炎、肺气肿和肺炎等疾病的治疗方法。
• CHLORO-PYRAZINE CARBOXAMIDE DERIVATIVES WITH EPITHELIAL SODIUM CHANNEL BLOCKING ACTIVITY
  申请人：Parion Sciences, Inc.

  公开号：US20140171447A1

  公开（公告）日：2014-06-19

  This invention provides compounds of the formula I: and their pharmaceutically acceptable salts, useful as sodium channel blockers, compositions containing the same, therapeutic methods and uses for the same and processes for preparing the same.

  这项发明提供了式I的化合物及其药用盐，可用作钠通道阻滞剂，包含这些化合物的组合物，以及用于这些化合物的治疗方法和用途，以及制备这些化合物的方法。
• [EN] PHENOTHIAZINE DERIVATIVES AND USES THEREOF<br/>[FR] DÉRIVÉS DE PHÉNOTHIAZINE ET LEURS UTILISATIONS
  申请人：CAMP4 THERAPEUTICS CORP

  公开号：WO2019195789A1

  公开（公告）日：2019-10-10

  The present invention provides phenothiazine compounds, processes for their preparation, pharmaceutical compositions comprising the compounds, and the use of the compounds or the compositions in the treatment of various diseases or conditions, for example ribosomal disorders and ribosomopathies, e.g. Diamond Blackfan anemia (DBA).

  本发明提供了吩噻嗪化合物，其制备方法，包含该化合物的药物组合物，以及在治疗各种疾病或症状中使用该化合物或组合物，例如核糖体紊乱和核糖体病，例如钻石-布莱克范贫血（DBA）。
• [EN] PRMT5 INHIBITORS CONTAINING A DIHYDRO- OR TETRAHYDROISOQUINOLINE AND USES THEREOF<br/>[FR] INHIBITEURS DE LA PRMT5 CONTENANT UNE DIHYDRO- OU TÉTRAHYDRO-ISOQUINOLÉINE ET LEURS UTILISATIONS
  申请人：EPIZYME INC

  公开号：WO2014100730A1

  公开（公告）日：2014-06-26

  Described herein are compounds of Formula (A), pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof. Compounds of the present invention are useful for inhibiting PRMT5 activity. Methods of using the compounds for treating PRMT5- mediated disorders are also described.

  本文描述了式（A）的化合物，其药学上可接受的盐以及药物组合物。本发明的化合物对抑制PRMT5活性是有用的。还描述了利用这些化合物治疗PRMT5介导的疾病的方法。
• PRMT5 INHIBITORS AND USES THEREOF
  申请人：Duncan Kenneth W.

  公开号：US20190083482A1

  公开（公告）日：2019-03-21

  Described herein are compounds of Formula (I), pharmaceutically acceptable salts thereof, and pharmaceutical compositions thereof. Compounds of the present invention are useful for inhibiting PRMT5 activity. Methods of using the compounds for treating PRMT5-mediated disorders are also described.

  本文描述了式（I）的化合物，其药学上可接受的盐以及药物组合物。本发明的化合物对抑制PRMT5活性是有用的。还描述了利用这些化合物治疗PRMT5介导的疾病的方法。

表征谱图