(1R,2S,3R,4R)-2,3-二羟基-4-(羟甲基)-1-氨基环戊烷水电氯化物 | 79200-57-0

• 物质功能分类: 有机原料 - 羧酸类化合物及衍生物
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: (1R,2S,3R,4R)-2,3-二羟基-4-(羟甲基)-1-氨基环戊烷水电氯化物
• 中文别名: (1R,2S,3R,4R)-2,3-二羟基-4-(羟基甲基)-1-氨基环戊烷盐酸盐；(1R,2S,3R,4R)-2,3-二羟基-4-(羟甲基)-1-氨基环戊烷盐酸盐
• 英文名称: (1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxylmethyl)-1-aminocyclopentan hydrochloride
• 英文别名: (1R,2S,3R,5R)-3-amino-5-(hydroxymethyl)cyclopentane-1,2-diol hydrochloride；(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)-1-aminocyclopentane hydrochloride；[(1R,2S,3R,4R)-2,3-dihydroxy-4-(hydroxymethyl)cyclopentyl]azanium;chloride
• CAS: 79200-57-0
• 化学式: C₆H₁₃NO₃*ClH
• 分子量: 183.635
• InChiKey: BLTXEPQZAMUGID-ILLHIODVSA-N

物化性质

• 密度：
  1.2361 (rough estimate)
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  -1.53
• 重原子数：
  11
• 可旋转键数：
  1
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  86.7
• 氢给体数：
  5
• 氢受体数：
  4

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 安全说明：
  S26,S37/39
• 危险性防范说明：
  P261,P280,P301+P312,P302+P352,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

SDS

Name:	(1R 2S 3R 4R)-2 3-Dihydroxy-4-(Hydroxymethyl)-1-Aminocyclopentane Material Safety Data Sheet
Synonym:	None Known
CAS:	79200-57-0

Section 1 - Chemical Product MSDS Name:(1R 2S 3R 4R)-2 3-Dihydroxy-4-(Hydroxymethyl)-1-Aminocyclopentane Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
79200-57-0	(1R,2S,3R,4R)-2,3-Dihydroxy-4-(Hydroxy	95%	unlisted

Hazard Symbols: XI
Risk Phrases: 36/37/38

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation. May cause chemical conjunctivitis.
Skin:
Causes skin irritation.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea.
Inhalation:
Causes respiratory tract irritation. Can produce delayed pulmonary edema.
Chronic:
Effects may be delayed.

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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:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. 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. Do NOT use mouth-to-mouth resuscitation.
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. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
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. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Minimize dust generation and accumulation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing.
Keep container tightly closed. Avoid ingestion and inhalation. Use with adequate ventilation. Wash clothing before reuse.
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# 79200-57-0: 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 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: white to off-white
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: C6H14ClNO3
Molecular Weight: 183.63

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable at room temperature in closed containers under normal storage and handling conditions.
Conditions to Avoid:
Incompatible materials, dust generation, excess heat.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 79200-57-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
(1R,2S,3R,4R)-2,3-Dihydroxy-4-(Hydroxymethyl)-1-Aminocyclope - 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
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: XI
Risk Phrases:
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 37/39 Wear suitable gloves and eye/face
protection.
WGK (Water Danger/Protection)
CAS# 79200-57-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 79200-57-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 79200-57-0 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：

  (1R,2S,3R,4R)-2,3-二羟基-4-(羟甲基)-1-氨基环戊烷水电氯化物 在 盐酸 、 偶氮二甲酸二异丙酯 、 对甲苯磺酸 、 三乙胺 、 三苯基膦 、 三甲基膦 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 乙醇 、 水 为溶剂， 反应 114.92h， 生成 7-[(3aS,4R,6R,6aR)-6-(aminomethyl)-2,2-dimethyl-hexahydrocyclopenta[d][1,3]dioxol-4-yl]-N-cyclopropyl-7H-pyrrolo[2,3-d]pyrimidine-4-amine
  参考文献：
  名称：

  [EN] CARBOCYCLE-SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS
  [FR] PURINE SUBSTITUÉE PAR UN CARBOCYCLE ET COMPOSÉS DE 7-DÉAZAPURINE

  摘要：

  公开号：

  WO2012075492A3
• 作为产物：
  描述：

  methyl (1S,2R,3S,4R)-4-amino-2,3-dihydroxycyclopentane-1-carboxylate hydrochloride 在 锂硼氢 作用下， 以 四氢呋喃 为溶剂， 生成 (1R,2S,3R,4R)-2,3-二羟基-4-(羟甲基)-1-氨基环戊烷水电氯化物
  参考文献：
  名称：

  [EN] CARBOCYCLIC NUCLEOSIDE ANALOGS AS RNA-ANTIVIRALS
  [FR] DERIVES DE NUCLEOSIDES CARBOCYCLIQUES UTILISES COMME INHIBITEURS DE L'ARN POLYMERASE ARN-DEPENDANTE VIRALE

  摘要：

  公开号：

  WO2003105770A3
• 作为试剂：
  描述：

  (1S,2R,3S,4R)-4-t-butoxycarbonylamino-2,3-dihydroxy-cyclopentanecarboxylic acid methyl ester 、 锂硼氢 、 、 盐酸 、 2,4-二硝基氟苯 、 碳酸氢钠 在 Sodium sulfate-III 、 四氢呋喃 、 (-)-(1R, 2S, 3R, 4R)-tert-butyl N-[2,3-dihydroxy-4-(hydroxymethyl)-1-cyclopentyl] carbamate 、 氮气 、 正己烷 、 (1R,2S,3R,4R)-2,3-二羟基-4-(羟甲基)-1-氨基环戊烷水电氯化物 、 甲醇 、 silica gel 作用下， 以 四氢呋喃 、 1,4-二氧六环 、 N,N-二甲基甲酰胺 、 水 为溶剂， 反应 21.0h， 以to give 30.15 g of (1R,2S,3R,5R)-3-[(2,4-dinitrophenyl)amino)-5-hydroxymethyl-cyclopentan-1,2-diol as an amorphous yellow solid的产率得到(1R,2S,3R,5R)-3-[(2,4-dinitrophenyl)amino)-5-hydroxymethyl-cyclopentan-1,2-diol
  参考文献：
  名称：

  Anti-HCV nucleoside derivatives

  摘要：

  本发明涉及新型和已知的嘌呤和嘧啶核苷衍生物，发现其对丙型肝炎病毒（HCV）具有活性。本发明声明了这些衍生物用于治疗HCV感染，以及在此披露的新型核苷衍生物。

  公开号：

  US20040110718A1

文献信息

• [EN] NOVEL HISTONE METHYLTRANSFERASE INHIBITORS<br/>[FR] NOUVEAUX INHIBITEURS D'HISTONE MÉTHYLTRANSFÉRASES
  申请人：UNIV FREIBURG ALBERT LUDWIGS

  公开号：WO2021053158A1

  公开（公告）日：2021-03-25

  The present invention relates to novel compounds of formula (I) as defined herein. The compounds are inhibitors of histone methyltransferases of the seven-beta-strand family, in particular of KMT9.

  本发明涉及式(I)定义的新的化合物。这些化合物是七-β-链家族组蛋白甲基转移酶的抑制剂，特别是KMT9的抑制剂。
• [EN] SUBSTITUTED NUCLEOSIDE ANALOGUES FOR USE AS PRMT5 INHIBITORS<br/>[FR] ANALOGUES DE NUCLÉOSIDES SUBSTITUÉS DESTINÉS À ÊTRE UTILISÉS EN TANT QU'INHIBITEURS DE PRMT5
  申请人：JANSSEN PHARMACEUTICA NV

  公开号：WO2017153186A1

  公开（公告）日：2017-09-14

  The present invention relates novel substituted nucleoside analogues of Formula (I) wherein the variables have the meaning defined in the claims. The compounds according to the present invention are useful as PRMT5 inhibitors. The invention further relates to pharmaceutical compositions comprising said compounds as an active ingredient as well as the use of said compounds as a medicament.

  本发明涉及式(I)的新型取代核苷类似物，其中变量具有如权利要求中所定义的含义。根据本发明的化合物作为PRMT5抑制剂是有用的。本发明进一步涉及包含所述化合物作为活性成分的药物组合物，以及将所述化合物用作药物的应用。
• [EN] BIARYL COMPOUNDS USEFUL AS IMMUNOMODULATORS<br/>[FR] COMPOSÉS BIARYLES UTILES EN TANT QU'IMMUNOMODULATEURS
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2018044963A1

  公开（公告）日：2018-03-08

  The present disclosure generally relates to compounds useful as immunomodulators. Provided herein are compounds, compositions comprising such compounds, and methods of their use. The disclosure further pertains to pharmaceutical compositions comprising at least one compound according to the disclosure that are useful for the treatment of various diseases, including cancer and infectious diseases.

  本公开涉及通常用作免疫调节剂的化合物。本文提供了包含这些化合物的组合物，以及它们的使用方法。该公开进一步涉及包含至少一种根据本公开的化合物的药物组合物，用于治疗各种疾病，包括癌症和传染病。
• [EN] STING MODULATOR COMPOUNDS, AND METHODS OF MAKING AND USING<br/>[FR] COMPOSÉS MODULATEURS DE STING, ET PROCÉDÉS DE FABRICATION ET D'UTILISATION
  申请人：TAKEDA PHARMACEUTICALS CO

  公开号：WO2019092660A1

  公开（公告）日：2019-05-16

  The present disclosure provides STING modulators/agonists, and methods of synthesis and methods for using for the prophylaxis or treatment of cancer and other STING-related diseases. The present disclosure relates to a compound represented by the Formula (I): wherein each symbol is as defined in the description, or a pharmaceutically acceptable salt thereof.

  本公开提供STING调节剂/激动剂，以及合成方法和用于预防或治疗癌症和其他STING相关疾病的方法。本公开涉及由式(I)表示的化合物：其中每个符号如描述中定义，或其药用可接受盐。
• Substituted pyridine and pyrimidine derivatives and their use in treating viral infections
  申请人：Arasappan Ashok

  公开号：US09433621B2

  公开（公告）日：2016-09-06

  The present invention provides compounds of Formula (I): and tautomers, isomers, and esters of said compounds, and pharmaceutically acceptable salts, solvates, and prodrugs of said compounds, wherein each of R, R1, X, Y, Z, R2, R3, R4, R5, R6, R7, R8, R9, R18, R19 and n is selected independently and as defined herein. Compositions comprising such compounds are also provided. The compounds of the invention are effective as inhibitors of HCV, and are useful, alone and together with other therapeutic agents, in treating or preventing diseases or disorders such as viral infections and virus-related disorders.

  本发明提供了式(I)的化合物：以及所述化合物的互变异构体、异构体和酯，以及所述化合物的药学上可接受的盐、溶剂化合物和前药，其中R、R1、X、Y、Z、R2、R3、R4、R5、R6、R7、R8、R9、R18、R19和n中的每个都是独立选择并如本文所定义。还提供了包含这些化合物的组合物。本发明的化合物作为HCV的抑制剂是有效的，并且在治疗或预防病毒感染和与病毒相关的疾病或紊乱方面，单独或与其他治疗剂一起使用是有用的。