2-氯-6-甲基嘧啶-4,5-二胺 | 63211-98-3

• 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: 2-氯-6-甲基嘧啶-4,5-二胺
• 英文名称: 2-Chloro-4,5-diamino-6-methylpyrimidine
• 英文别名: 2-Chloro-6-methylpyrimidine-4,5-diamine
• CAS: 63211-98-3
• 化学式: C₅H₇ClN₄
• 分子量: 158.59
• InChiKey: KSGKEVCHVYUUDN-UHFFFAOYSA-N

物化性质

• 熔点：
  249 °C
• 沸点：
  377.1±37.0 °C(Predicted)
• 密度：
  1.459±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  10
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  77.8
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xn
• 安全说明：
  S26,S36/37/39
• 危险类别码：
  R20/21/22,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,H335

SDS

Name:	2-Chloro-6-methylpyrimidine-4 5-diamine 95+% Material Safety Data Sheet
Synonym:
CAS:	63211-98-3

Section 1 - Chemical Product MSDS Name:2-Chloro-6-methylpyrimidine-4 5-diamine 95+% Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
63211-98-3	2-Chloro-6-methylpyrimidine-4,5-diamin	95+%	unlisted

Hazard Symbols: XN
Risk Phrases: 20/21/22 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Harmful by inhalation, in contact with skin and if swallowed.
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. Harmful if absorbed through the skin.
Ingestion:
Harmful if swallowed. May cause irritation of the digestive tract.
Inhalation:
Harmful if inhaled. Causes respiratory tract irritation.
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. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
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.
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:
Vacuum or sweep up material and place into a suitable disposal 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:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 63211-98-3: 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: Solid
Color: brown
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: > 250 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C5H7ClN4
Molecular Weight: 159

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, chlorine, nitrogen oxides, carbon monoxide, carbon dioxide, acrid smoke and fumes.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 63211-98-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2-Chloro-6-methylpyrimidine-4,5-diamine - 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
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.*
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
IMO
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing Group: III
RID/ADR
Shipping Name: TOXIC SOLID, ORGANIC, N.O.S.
Hazard Class: 6.1
UN Number: 2811
Packing group: III

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/21/22 Harmful by inhalation, in contact with
skin and if swallowed.
R 36/37/38 Irritating to eyes, respiratory system
and skin.
Safety Phrases:
S 26 In case of contact with eyes, rinse immediately
with plenty of water and seek medical advice.
S 36/37/39 Wear suitable protective clothing, gloves
and eye/face protection.
WGK (Water Danger/Protection)
CAS# 63211-98-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 63211-98-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 63211-98-3 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：

  2-氯-6-甲基嘧啶-4,5-二胺 在 甲醇 、 乙酸酐 作用下， 生成 2-methoxy-6-methyl-7(9)H-purine
  参考文献：
  名称：

  Potential Purine Antagonists. XVI. Preparation of Some 2-, 6- and 8-Methylpurines¹

  摘要：

  DOI：

  10.1021/ja01510a044
• 作为产物：
  描述：

  2,4-二氯-5-硝基-6-甲基嘧啶 在 盐酸 、 乙醇 、 氨 、 tin(ll) chloride 作用下， 生成 2-氯-6-甲基嘧啶-4,5-二胺
  参考文献：
  名称：

  Gabriel; Colman, Chemische Berichte, 1901, vol. 34, p. 1242

  摘要：

  DOI：

文献信息

• Angiotensin II antagonists incorporating a substituted thiophene or furan
  申请人：Merck & Co., Inc.

  公开号：US05177074A1

  公开（公告）日：1993-01-05

  There are disclosed substituted thiophene and furan derivatives of Formula I which are useful as angiotensin II antagonists. ##STR1##

  已公开的Formula I的取代噻吩和呋喃衍生物可用作血管紧张素II拮抗剂。
• [EN] COMPOUNDS AS INHIBITORS OF MACROPHAGE MIGRATION INHIBITORY FACTOR<br/>[FR] COMPOSÉS EN TANT QU'INHIBITEURS DU FACTEUR INHIBITEUR DE LA MIGRATION DES MACROPHAGES
  申请人：IMMUNOPHAGE BIOMEDICAL CO LTD

  公开号：WO2020186220A1

  公开（公告）日：2020-09-17

  The present invention provides compounds of Formula (I) shown above and their pharmaceutically acceptable salt, solvates, isomers, or prodrugs, as well as pharmaceutical compositions containing these compounds. Also provided by the invention is a method for treating a disorder mediated by macrophage migration inhibitory factor in a subject, comprising administering to the subject in need thereof a compound or a pharmaceutical composition of this invention.

  本发明提供了上述公式(I)所示的化合物及其药用可接受的盐、溶剂化物、异构体或前药，以及含有这些化合物的药物组合物。本发明还提供了一种用于治疗由巨噬细胞迁移抑制因子介导的疾病的方法，包括向需要治疗的对象施用本发明的化合物或药物组合物。
• Substituted imidazo-fused 6-membered heterocycles as angiotensin II
  申请人：Merck & Co., Inc.

  公开号：US05332744A1

  公开（公告）日：1994-07-26

  Substituted Imidazo-fused 6-membered heterocycles of structural formula: ##STR1## wherein A, B, C, and D are independently carbon atoms or nitrogen atoms are angiotensin II antagonists useful in the treatment of hypertension and congestive heart failure.

  结构式为：##STR1## 其中A、B、C和D分别是碳原子或氮原子的咪唑融合的6元杂环，是用于治疗高血压和充血性心力衰竭的血管紧张素II拮抗剂。
• Methylated Nucleobases: Synthesis and Evaluation for Base Pairing In Vitro and In Vivo
  作者：Amit M. Jabgunde、Faten Jaziri、Omprakash Bande、Matheus Froeyen、Mikhail Abramov、Hoai Nguyen、Guy Schepers、Eveline Lescrinier、Vitor B. Pinheiro、Valérie Pezo、Philippe Marlière、Piet Herdewijn

  DOI：10.1002/chem.201802304

  日期：2018.8.27

  The synthesis, base pairing properties and in vitro (polymerase) and in vivo (E. coli) recognition of 2′‐deoxynucleotides with a 2‐amino‐6‐methyl‐8‐oxo‐7,8‐dihydro‐purine (X), a 2‐methyl‐6‐thiopurine (Y) and a 6‐methyl‐4‐pyrimidone (Z) base moiety are described. As demonstrated by Tm measurements, the X and Y bases fail to form a self‐complementary base pair. Despite this failure, enzymatic incorporation

  具有2-氨基-6-甲基-8-氧代-7,8-二氢嘌呤（X）的2'-脱氧核苷酸的合成，碱基配对特性以及体外（聚合酶）和体内（大肠杆菌）识别，2-甲基-6-硫代嘌呤（Y）和6-甲基-4-嘧啶酮（Z）碱基部分进行了描述。正如T m测量所证明的，X和Y碱基无法形成自互补碱基对。尽管失败了，酶促掺入实验表明，选定的DNA聚合酶识别X核苷酸，并在模板中掺入了与X相对的修饰核苷酸。在体内，X主要被确认为A / G或C基地；Y被识别为G或C碱基，Z被大多数识别为T或C。很容易替换通常参与W-C识别的核碱基中的官能团（嘌呤的6-羰基和2-氨基；嘧啶的6-羰基）导致正交（缺少与自然碱基的碱基配对）。
• Purine derivative dihydrate, drugs containing the same as the active ingredient and intermediate in the production thereof
  申请人：Mitsubishi Chemical Corporation

  公开号：US06660745B1

  公开（公告）日：2003-12-09

  Dihydrate of 4-[[9-[(3-cyclopentyloxy-4-methoxy)benzyl]-6,8-dimethylpurin]-2-yl-3-oxypropyl]pyridine N-oxide, drugs containing the same and a compound useful as an intermediate in the production of this dihydrate. Because of having a phosphodiesterase IV inhibitory effect, this dihydrate is useful as a preventive and/or remedy for asthma, chronic obstructive lung disease and/or other inflammatory diseases.

  4-氢氧化物-[[9-[(3-环戊氧基-4-甲氧基)苄]-6,8-二甲基嘌呤]-2-基-3-氧基丙基]吡啶N-氧化物的二水合物，含有相同成分的药物以及作为该二水合物生产中间体的化合物。由于具有磷酸二酯酶IV抑制作用，该二水合物可用作预防和/或治疗哮喘、慢性阻塞性肺病和/或其他炎症性疾病。