2,4-二氯-5-碘嘧啶 - CAS号 13544-44-0

物化性质

熔点：

68.0 to 72.0 °C
沸点：

310.2±22.0 °C(Predicted)
密度：

2?+-.0.06 g/cm3(Predicted)
溶解度：

溶于甲醇

计算性质

辛醇/水分配系数(LogP)：

2.8
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：

25.8
氢给体数：

0
氢受体数：

2

安全信息

危险等级：

6.1
危险品标志：

Xn
安全说明：

S26,S39
危险类别码：

R37/38,R41,R22
WGK Germany：

3
海关编码：

2933599090
危险品运输编号：

UN 2811 6.1 / PGIII
包装等级：

Ⅲ
危险类别：

6.1
危险标志：

GHS05,GHS06
危险性描述：

H301,H315,H318,H335
危险性防范说明：

P261,P280,P301 + P310,P305 + P351 + P338
储存条件：

避免直射阳光

SDS

SDS：34be55f8ad9841ac8e3b6a60831759f0

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product name : 2,4-Dichloro-5-iodopyrimidine

Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
According to Regulation (EC) No1272/2008
Acute toxicity, Oral (Category 3)
Skin irritation (Category 2)
Serious eye damage (Category 1)
Specific target organ toxicity - single exposure (Category 3)
According to European Directive 67/548/EEC as amended.
Harmful if swallowed. Irritating to respiratory system and skin. Risk of serious damage to eyes.
Label elements
Pictogram
Signal word Danger
Hazard statement(s)
H301 Toxic if swallowed.
H315 Causes skin irritation.
H318 Causes serious eye damage.
H335 May cause respiratory irritation.
Precautionary statement(s)
P261 Avoid breathing dust/ fume/ gas/ mist/ vapours/ spray.
P280 Wear protective gloves/ eye protection/ face protection.
P301 + P310 IF SWALLOWED: Immediately call a POISON CENTER or doctor/
physician.
P305 + P351 + P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove
contact lenses, if present and easy to do. Continue rinsing.
Hazard symbol(s)
Xn Harmful
R-phrase(s)
R22 Harmful if swallowed.
R37/38 Irritating to respiratory system and skin.
R41 Risk of serious damage to eyes.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S39 Wear eye/face protection.
Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Formula : C4HCl2IN2
Molecular Weight : 274,87 g/mol
CAS-No. EC-No. Index-No. Classification Concentration
2,4-Dichloro-5-iodopyrimidine
13544-44-0 - - Acute Tox. 3; Skin Irrit. 2; Eye -
Dam. 1; STOT SE 3; H301,
H315, H318, H335
Xn, R22 - R37/38 - R41
For the full text of the H-Statements mentioned in this Section, see Section 16.

Section 4. FIRST AID MEASURES
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Take victim immediately to hospital. Consult a physician.
In case of eye contact
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.

Section 5. FIRE-FIGHTING MEASURES
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special protective equipment for fire-fighters
Wear self contained breathing apparatus for fire fighting if necessary.

Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions
Wear respiratory protection. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure adequate
ventilation. Evacuate personnel to safe areas. Avoid breathing dust.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.

Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed. Normal measures for preventive fire
protection.
Conditions for safe storage
Keep container tightly closed in a dry and well-ventilated place. Store in cool place.
Handle and store under inert gas. Light sensitive.

Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Personal protective equipment
Respiratory protection
Where risk assessment shows air-purifying respirators are appropriate use a full-face particle respirator
type N100 (US) or type P3 (EN 143) respirator cartridges as a backup to engineering controls. If the
respirator is the sole means of protection, use a full-face supplied air respirator. Use respirators and
components tested and approved under appropriate government standards such as NIOSH (US) or CEN
(EU).
Hand protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique (without
touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves
after use in accordance with applicable laws and good laboratory practices. Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the
standard EN 374 derived from it.
Eye protection
Face shield and safety glasses Use equipment for eye protection tested and approved under appropriate
government standards such as NIOSH (US) or EN 166(EU).
Skin and body protection
Complete suit protecting against chemicals, The type of protective equipment must be selected according
to the concentration and amount of the dangerous substance at the specific workplace.
Hygiene measures
Avoid contact with skin, eyes and clothing. Wash hands before breaks and immediately after handling the
product.

Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Appearance
Form solid
Safety data
pH no data available
Melting point 65 - 69 °C
Boiling point no data available
Flash point no data available
Ignition temperature no data available
Lower explosion limit no data available
Upper explosion limit no data available
Water solubility no data available
Partition coefficient: log Pow: 2,635
n-octanol/water

Section 10. STABILITY AND REACTIVITY
Chemical stability
Stable under recommended storage conditions.
Conditions to avoid
no data available
Materials to avoid
Strong oxidizing agents
Hazardous decomposition products
Hazardous decomposition products formed under fire conditions. - Carbon oxides, nitrogen oxides (NOx),
Hydrogen chloride gas, Hydrogen iodide

Section 11. TOXICOLOGICAL INFORMATION
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
Prolonged or repeated exposure may cause allergic reactions in certain sensitive individuals.
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
Inhalation - May cause respiratory irritation.
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. Causes respiratory tract irritation.
Ingestion Toxic if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes eye burns.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been thoroughly
investigated.
Additional Information
RTECS: Not available

Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
PBT and vPvB assessment
no data available
Other adverse effects
no data available

Section 13. DISPOSAL CONSIDERATIONS
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed professional
waste disposal service to dispose of this material. Dissolve or mix the material with a combustible solvent
and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

Section 14. TRANSPORT INFORMATION
ADR/RID
UN-Number: 2811 Class: 6.1 Packing group: III
Proper shipping name: TOXIC SOLID, ORGANIC, N.O.S. (2,4-Dichloro-5-iodopyrimidine)
IMDG
UN-Number: 2811 Class: 6.1 Packing group: III EMS-No: F-A, S-A
Proper shipping name: TOXIC SOLID, ORGANIC, N.O.S. (2,4-Dichloro-5-iodopyrimidine)
Marine pollutant: No
IATA
UN-Number: 2811 Class: 6.1 Packing group: III
Proper shipping name: Toxic solid, organic, n.o.s. (2,4-Dichloro-5-iodopyrimidine)

Section 15. REGULATORY INFORMATION
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.

Section 16. OTHER INFORMATION
Text of H-code(s) and R-phrase(s) mentioned in Section 3
Acute Tox. Acute toxicity
Eye Dam. Serious eye damage
H301 Toxic if swallowed.
H315 Causes skin irritation.
H318 Causes serious eye damage.
H335 May cause respiratory irritation.
Skin Irrit. Skin irritation
STOT SE Specific target organ toxicity - single exposure
Xn Harmful
R22 Harmful if swallowed.
R37/38 Irritating to respiratory system and skin.
R41 Risk of serious damage to eyes.
Further information
Copyright 2010 Co. License granted to make unlimited paper copies for internal use only.
The above information is believed to be correct but does not purport to be all inclusive and shall be used
only as a guide. The information in this document is based on the present state of our knowledge and is
applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee
of the properties of the product. Co., shall not be held liable for any damage resulting from
handling or from contact with the above product. See reverse side of invoice or packing slip for additional
terms and conditions of sale.

制备方法与用途

用途

2,4-二氯-5-碘嘧啶可作为合成二肽基肽酶IV抑制剂的试剂，同时也用于合成嘧啶海参-4拮抗剂。

化学性质

类白色结晶粉末

反应信息

作为反应物：

描述：

2,4-二氯-5-碘嘧啶在一水合肼作用下，以乙醇为溶剂，反应 12.0h，以94.3%的产率得到2-chloro-4-hydrazino-5-iodopyrimidine

参考文献：

名称：

嘧啶并五元氮杂环化合物及其用途

摘要：

本发明涉及嘧啶并五元氮杂环化合物及其用途。特别地，本发明涉及通式(I)所示的嘧啶并五元氮杂环类衍生物、其制备方法、含有该衍生物的药物组合物，以及其作为SHP2抑制剂用于预防和/或治疗肿瘤或者癌症的用途，其中通式(I)中的各个取代基与说明书中定义相同。

公开号：

CN114163457A
作为产物：

描述：

5-碘尿嘧啶在 N,N-二甲基苯胺、三氯氧磷作用下，生成 2,4-二氯-5-碘嘧啶

参考文献：

名称：

二肽基肽酶IV的嘧啶酮和嘧啶二酮抑制剂的设计与合成

摘要：

描述了两类杂环二肽基肽酶IV（DPP-4）抑制剂嘧啶酮和嘧啶二酮的发现。单次口服剂量后，这些有效的，选择性的和非共价的抑制剂可在糖尿病动物模型中持续降低血浆DPP-4活性并降低血糖。选择化合物13a，27b和27j进行开发。

DOI：

10.1021/jm101016w
作为试剂：

描述：

5-碘尿嘧啶、三氯氧磷、 sodium methylate 、二氧化碳在 N,N-二乙基苯胺 1L 、氮气、三氯氧磷、 ice 、碳酸氢钠、 Acetone cardice 、二氯甲烷、 crude solution 、 2,4-二氯-5-碘嘧啶、 Sodium sulfate-III 、 hexanes 、 title compound 作用下，以甲醇为溶剂，反应 41.0h，生成 2,4-二甲氧基-5-碘嘧啶

参考文献：

名称：

Pharmaceutical compositions of 5-substituted uracil compounds

摘要：

本发明揭示了含有5-取代尿嘧啶化合物的制药组合物。该组合物最好以片剂或胶囊的形式存在。

公开号：

US05643913A1

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文献信息

[EN] INHIBITORS<br/>[FR] INHIBITEURS

申请人：BIONOMICS LTD

公开号：WO2015123722A1

公开（公告）日：2015-08-27

This invention relates to compounds of the formula (I):The invention also relates to processes for the preparation of the compound of the formula (I), pharmaceutical agents or compositions containing the compound or a method of using the compound for the treatment of proliferative diseases, such as cancer.

这项发明涉及式(I)的化合物。该发明还涉及制备式(I)化合物的方法，含有该化合物的药物或组合物，或者使用该化合物治疗增殖性疾病，如癌症的方法。
PYRIMIDINE-FUSED CYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF

申请人：SHANGHAI BLUERAY BIOPHARMA CO., LTD.

公开号：US20210053989A1

公开（公告）日：2021-02-25

Disclosed in the present disclosure are a pyrimidine-fused cyclic compound or a pharmaceutically acceptable salt, hydrate, prodrug, stereoisomer, solvate or isotope labeled compound thereof. Also provided in the present disclosure are a preparation method for the compound, a composition comprising the compound and a use of the compound for the preparation of a medicament for the prevention and/or treatment of a disease or condition associated with abnormal SHP2 activity.

本公开涉及一种嘧啶融合的环状化合物或其药用可接受的盐、水合物、前药、立体异构体、溶剂合物或同位素标记化合物。本公开还提供了该化合物的制备方法、包含该化合物的组合物以及该化合物用于制备与异常SHP2活性相关的疾病或病况的药物的用途。
[EN] SUBSTITUTED CYCLOPROPYL-2,2'-BIPYRIMIDINYL COMPOUNDS, ANALOGUES THEREOF, AND METHODS USING SAME<br/>[FR] COMPOSÉS DE CYCLOPROPYL-2,2'-BIPYRIMIDINYL SUBSTITUÉS, ANALOGUES DE CEUX-CI, ET PROCÉDÉS LES UTILISANT

申请人：ARBUTUS BIOPHARMA INC

公开号：WO2021025976A1

公开（公告）日：2021-02-11

The present disclosure includes novel substituted cyclopropyl-2,2'-bipyrimidinyl compounds, and compositions comprising the same, that can be used to treat or prevent hepatitis B virus (HBV) infection and/or hepatitis D virus (HDV) infection in a patient.

本公开涵盖了新型的取代环丙基-2,2'-双嘧啶基化合物，以及包含这些化合物的组合物，可用于治疗或预防患者体内的乙型肝炎病毒（HBV）感染和/或丙型肝炎病毒（HDV）感染。
[EN] THERAPUETIC USES OF SELECTED PYRIMIDINE COMPOUNDS WITH ANTI-MER TYROSINE KINASE ACTIVITY<br/>[FR] UTILISATIONS THÉRAPEUTIQUES DE COMPOSÉS SÉLECTIONNÉS DE PYRIMIDINE AYANT UNE ACTIVITÉ TYROSINE KINASE ANTIMÈRE

申请人：UNIV NORTH CAROLINA

公开号：WO2015157127A1

公开（公告）日：2015-10-15

Uses of pyrimidines with anti-Mer tyrosine kinase activity as anti-infective agents, immunostimulatory and immunomodulatory agents, anti-cancer agents (including against MerTK -/- tumors and ITD and TKD mutant forms of Acute Myeloid Leukemia (AML)), and as adjunctive agents in combination with chemotherapeutic, radiation or other standard of care for neoplasms.

将嘧啶类化合物用作抗Mer酪氨酸激酶活性的抗感染剂、免疫刺激剂和免疫调节剂、抗癌剂（包括对MerTK -/-肿瘤和急性髓样白血病（AML）的ITD和TKD突变形式），以及作为辅助剂与化疗、放疗或其他肿瘤标准治疗联合使用。
[EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSÉS CHIMIQUES

申请人：BORAGEN INC

公开号：WO2021003501A1

公开（公告）日：2021-01-07

The present disclosure describes novel compounds, or their pharmaceutically acceptable salts, pharmaceutical compositions containing them, and their medical uses. Compounds of the disclosure have activity as dual modulators of Janus kinase (JAK), alone, or in combination with one or more of an additional mechanism, including a tyrosine kinase, such as TrkA or Syk, and PDE4, and are useful in the in the treatment or control of inflammation, auto-immune diseases, cancer, and other disorders and indications where modulation of JAK would be desirable. Also described herein are methods of treating inflammation, auto-immune diseases, cancer, and other conditions susceptible to inhibition of JAK and PDE4 by administering a compound herein described.

本公开描述了新颖的化合物，或其药用可接受的盐，含有它们的药物组合物，以及它们的医疗用途。本公开的化合物具有作为Janus激酶（JAK）的双重调节剂的作用，单独使用，或与一个或多个附加机制（包括酪氨酸激酶，如TrkA或Syk，以及PDE4）结合使用，并且在治疗或控制炎症、自身免疫疾病、癌症以及其他调节JAK会可取的失调和其他适应症中是有用的。此外，还描述了通过施用本处所述的化合物来治疗炎症、自身免疫疾病、癌症以及其他易受JAK和PDE4抑制的状况的方法。

2,4-二氯-5-碘嘧啶 | 13544-44-0

物质功能分类

分子结构分类

物化性质

计算性质

安全信息

SDS

制备方法与用途

反应信息

文献信息

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