5-氨基-4,6-二羟基嘧啶 | 69340-97-2

• 物质功能分类: 医药中间体 - 杂环化合物 - 嘧啶类化合物
• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 5-氨基-4,6-二羟基嘧啶
• 中文别名: 4,6-二羟基-5-氨基嘧啶；4，6-二羟基-5-氨基嘧啶
• 英文名称: 5-amino-4,6-dihydroxy-pyrimidine
• 英文别名: 4,6-dihydroxy-5-aminopyrimidine；5-amino-4,6-dihydroxypyrimidine；5-aminopyrimidine-4,6-diol；5-amino-1H-pyrimidine-4,6-dione；4,6-Dihydroxy-5-amino-pyrimidin；5-amino-4-hydroxy-1H-pyrimidin-6-one
• CAS: 69340-97-2
• 化学式: C₄H₅N₃O₂
• 分子量: 127.103
• InChiKey: YKHPWCZPESTMRF-UHFFFAOYSA-N

物化性质

• 熔点：
  >300 °C
• 密度：
  1.84±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -1.3
• 重原子数：
  9
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  87.7
• 氢给体数：
  3
• 氢受体数：
  4

安全信息

• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R36/37/38
• 海关编码：
  2933599090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319
• 储存条件：
  室温且干燥环境下

SDS

Name:	5-Amino-4 6-dihydroxypyrimidine Material Safety Data Sheet
Synonym:
CAS:	69340-97-2

Section 1 - Chemical Product MSDS Name:5-Amino-4 6-dihydroxypyrimidine Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
69340-97-2	5-Amino-4,6-dihydroxypyrimidine		unlisted

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. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes.
Ingestion:
Get medical aid. Wash mouth out with water.
Inhalation:
Remove from exposure and move to fresh air immediately.
Notes to Physician:
Treat symptomatically and supportively.

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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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container.

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Section 7 - HANDLING and STORAGE
Handling:
Avoid breathing dust, vapor, mist, or gas. Avoid contact with skin and eyes.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 69340-97-2: Personal Protective Equipment Eyes: Not available.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
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: Not available.
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C4H5N3O2
Molecular Weight: 127.10

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Not available.
Incompatibilities with Other Materials:
Not available.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 69340-97-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
5-Amino-4,6-dihydroxypyrimidine - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
No information available.
IMO
No information available.
RID/ADR
No information available.

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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:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 69340-97-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 69340-97-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 69340-97-2 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  5-氨基-4,6-二羟基嘧啶 生成 4,6-二氯-5-氨基嘧啶
  参考文献：
  名称：

  [EN] A PROCESS FOR THE PREPARATION OF AN INTERMEDIATE FOR A TRIAZOLOPYRIMIDINE CARBONUCLEOSIDE
  [FR] PROCÉDÉ POUR LA PRÉPARATION D'UN INTERMÉDIAIRE POUR UN CARBONUCLÉOSIDE DE TRIAZOLOPYRIMIDINE

  摘要：

  一种制备式（II）的4,6-二卤嘧啶-5-胺或其盐的方法，包括将式（III）的5-氨基嘧啶-4,6-二醇或其盐，或者化合物式（III）或其盐的溶剂与卤代试剂反应，新的中间体有助于制备式（II）的化合物以及制备这些中间体的方法。该发明还涉及一种从式（IIA）的4,6-二卤-2-(丙硫基)嘧啶-5-胺制备替卡格雷洛或其药学上可接受的盐的方法。

  公开号：

  WO2014023681A1
• 作为产物：
  描述：

  N-(4,6-dihydroxypyrimidin-5-yl)acetamide 在 盐酸 作用下， 以 甲醇 为溶剂， 反应 15.5h， 以3.5 g的产率得到5-氨基-4,6-二羟基嘧啶
  参考文献：
  名称：

  PROCESS FOR THE PREPARATION OF AN INTERMEDIATE FOR A TRIAZOLOPYRIMIDINE CARBONUCLEOSIDE

  摘要：

  一种制备式（II）的4,6-二卤代嘧啶-5-胺或其盐的方法，包括将式（III）的5-氨基嘧啶-4,6-二醇或其盐，或者该化合物的溶剂或其盐的溶剂与卤代试剂反应，以及制备该中间体的方法。本发明还涉及一种从式（IIA）的4,6-二卤代-2-（丙基硫）嘧啶-5-胺制备替卡格雷洛或其药学上可接受的盐的方法。

  公开号：

  US20150152114A1

文献信息

• [EN] PIPERIDINE SUBSTITUTED PYRAZOLO[1,5-A]PYRIMIDINE DERIVATIVES WITH INHIBITORY ACTIVITY ON THE REPLICATION OF THE RESPIRATORY SYNCYTIAL VIRUS (RSV)<br/>[FR] DÉRIVÉS DE PYRAZOLO[1,5-A]PYRIMIDINE SUBSTITUÉS PAR PIPÉRIDIN, AYANT UNE ACTIVITÉ INHIBITRICE SUR LA RÉPLICATION DU VIRUS RESPIRATOIRE SYNCYTIAL (RSV)
  申请人：JANSSEN SCIENCES IRELAND UC

  公开号：WO2016091774A1

  公开（公告）日：2016-06-16

  The invention concerns novel substituted bicyclic pyrazolo pyrimidine compounds of formula (I) having antiviral activity, in particular, having an inhibitory activity on the replication of the respiratory syncytial virus (RSV). The invention further concerns the preparation of such novel compounds, compositions comprising these compounds, and the compounds for use in the treatment of respiratory syncytial virus infection.

  这项发明涉及具有抗病毒活性的新型取代的双环吡唑嘧啶化合物，特别是对呼吸道合胞病毒（RSV）复制具有抑制活性的化合物。该发明还涉及制备这种新型化合物，包含这些化合物的组合物，以及用于治疗呼吸道合胞病毒感染的化合物。
• Furo[2,3-d]pyrimidines and Oxazolo[5,4-d]pyrimidines as Inhibitors of Receptor Tyrosine Kinases (RTK)
  作者：Andreas Martin-Kohler、Jörg Widmer、Guido Bold、Thomas Meyer、Urs Séquin、Peter Traxler

  DOI：10.1002/hlca.200490089

  日期：2004.4

  potent EGFR inhibitors. Therefore, new types of oxazolo[5,4-d]pyrimidines and furo[2,3-d]pyrimidines were synthesized (Schemes 1 and 2). Appropriately substituted derivatives of these classes of compounds inhibited VEGFR2 and EGFR with IC50 values in the low nanomolar range (see Table). Generally, the furopyrimidines were somewhat more active than the oxazolopyrimidines. The best inhibitors, 20m, 20p

  受体酪氨酸激酶，例如VEGFR2（血管内皮生长因子受体2，KDR）或EGFR（表皮生长因子受体）在多种疾病（例如癌症）中起关键作用。最近，一些吡咯并嘧啶被证明是有效的EGFR抑制剂。因此，合成了新型的恶唑并[5,4- d ]嘧啶和呋喃[2,3- d ]嘧啶（方案1和2）。这类化合物的适当取代衍生物可抑制VEGFR2和EGFR，IC 50值在低纳摩尔范围内（见表）。通常，呋喃嘧啶比恶唑并嘧啶具有更高的活性。最好的抑制剂20m，20p，和20r，对EGFR的IC 50为3 nM，显示出良好的选择性，对VEGFR2的活性明显较低。
• TETRAZOLE DERIVATIVES AS TRPA1 INHIBITORS
  申请人：Boehringer Ingelheim International GmbH

  公开号：US20210403482A1

  公开（公告）日：2021-12-30

  The present disclosure provides certain tetrazole derivatives that are inhibitors of transient receptor potential ankyrin 1 (TRPA1), and are therefore useful for the treatment of diseases treatable by inhibition of TRPA1. Also provided are pharmaceutical compositions containing the same, and processes for preparing said compounds.

  本公开提供了一些噻唑酮衍生物，它们是暂时性受体电位蛋白1（TRPA1）的抑制剂，因此可用于治疗通过抑制TRPA1可治疗的疾病。还提供了含有这些衍生物的药物组合物，以及制备这些化合物的方法。
• 四乙基氯化铵催化嘧啶环羟基氯代制备方法
  申请人：安庆博曼生物技术有限公司

  公开号：CN110950806A

  公开（公告）日：2020-04-03

  本发明公开了一种四乙基氯化铵催化嘧啶环羟基氯代制备方法，包括以下步骤：（1）向容器中加入三氯氧磷中，再加入四乙基氯化铵作为催化剂，加入嘧啶环羟基化合物，升温反应；（2）配置碱液并冷却至0℃，将反应液缓慢滴加到碱液中萃灭，即得到目标产物；本发明的优点体现在：所提供的嘧啶环羟基氯代催化方法环境污染小，所得产品颜色浅，催化效率较高，三氯氧磷回收压力小。
• FUSED MULTICYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS
  申请人：Hsieh Hsing-Pang

  公开号：US20100081675A1

  公开（公告）日：2010-04-01

  Fused multicyclic compounds of formula (I): wherein R′, R″, X, Y, Z, A, B, C, D, and n are defined herein. Also disclosed are a method for inhibiting protein kinase (e.g., Aurora kinase) activity and a method for treating a protein kinase mediated disorder (e.g., cancer) with these compounds.

  公式（I）的融合多环化合物：其中R′、R″、X、Y、Z、A、B、C、D和n在此定义。还公开了一种抑制蛋白激酶（例如Aurora激酶）活性的方法以及使用这些化合物治疗蛋白激酶介导的疾病（例如癌症）的方法。