3A-氨基-3A-脱氧-(2AS,3AS)-γ-环糊精水合物 | 189307-64-0

• 物质功能分类: 化学试剂 - 有机试剂 - 环糊精
• 分子结构分类: 有机化合物 - 有机氧化合物
• 中文名称: 3A-氨基-3A-脱氧-(2AS,3AS)-γ-环糊精水合物
• 中文别名: 3A-氨基-3A-脱氧-(2AS,3AS)-Γ-环糊精水合物
• 英文名称: 3^A-amino-3^A-deoxy-altro-γ-cyclodextrin
• 英文别名: 3A-amino-3A-deoxy-(2AS,3AS)-γ-cyclodextrin；3A-amino-3A-deoxy-2A(S),3A(R)-γ-CD；3A-Amino-3A-deoxy-(2AS,3AS)-gamma-cyclodextrin；(1S,3R,5R,6S,8S,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36S,38R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R,50R,51R,52R,53R,54R,55S,56S)-55-amino-5,10,15,20,25,30,35,40-octakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34,37,39-hexadecaoxanonacyclo[36.2.2.23,6.28,11.213,16.218,21.223,26.228,31.233,36]hexapentacontane-41,42,43,44,45,46,47,48,49,50,51,52,53,54,56-pentadecol
• CAS: 189307-64-0
• 化学式: C₄₈H₈₁NO₃₉
• 分子量: 1296.15
• InChiKey: UCNMOVNZUVXILW-OJHPOGNJSA-N

物化性质

• 密度：
  1.601±0.06 g/cm3(Predicted)
• 溶解度：
  甲醇（微溶）、水（微溶）

计算性质

• 辛醇/水分配系数(LogP)：
  -17.4
• 重原子数：
  88
• 可旋转键数：
  8
• 环数：
  30.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  639
• 氢给体数：
  24
• 氢受体数：
  40

SDS

3A-Amino-3A-deoxy-(2AS,3AS)-γ-cyclodextrin Hydrate Revision number: 1
SAFETY DATA SHEET

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Section 1. BASE INFORMATION
Product name: 3A-Amino-3A-deoxy-(2AS,3AS)-γ-cyclodextrin Hydrate

1
Revision number:

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Section 2. HAZARDS IDENTIFICATION
Classification of the GHS
PHYSICAL HAZARDS Not classified
HEALTH HAZARDS Not classified
ENVIRONMENTAL HAZARDS Not classified
GHS label elements
Pictograms or hazard symbols None
Signal word No signal word
Hazard statement None
Precautionary statements None

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substance/mixture: Substance
3A-Amino-3A-deoxy-(2AS,3AS)-γ-cyclodextrin Hydrate
Component(s):
Percent: >97.0%(LC)
CAS Number: 189307-64-0
Chemical Formula: C48H81NO39·xH2O

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Section 4. FIRST AID MEASURES
Inhalation: Remove victim to fresh air and keep at rest in a position comfortable for breathing.
Get medical advice/attention if you feel unwell.
Skin contact: Remove/Take off immediately all contaminated clothing. Rinse skin with
water/shower. If skin irritation or rash occurs: Get medical advice/attention.
Eye contact: Rinse cautiously with water for several minutes. Remove contact lenses, if present
and easy to do. Continue rinsing. If eye irritation persists: Get medical
advice/attention.
Ingestion: Get medical advice/attention if you feel unwell. Rinse mouth.
Protection of first-aiders: A rescuer should wear personal protective equipment, such as rubber gloves and air-
tight goggles.

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Section 5. FIRE-FIGHTING MEASURES
Dry chemical, foam, water spray, carbon dioxide.
Suitable extinguishing
media:
Specific hazards: Take care as it may decompose upon combustion or in high temperatures to
generate poisonous fume.
Specific methods: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing
method according to the surrounding situation is used. Uninvolved persons should
evacuate to a safe place. In case of fire in the surroundings: Remove movable
containers if safe to do so.
Hydrate

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Section 5. FIRE-FIGHTING MEASURES
When extinguishing fire, be sure to wear personal protective equipment.
Special protective
equipment for firefighters:

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, Use personal protective equipment. Keep people away from and upwind of spill/leak.
protective equipment and Entry to non-involved personnel should be controlled around the leakage area by
emergency procedures: roping off, etc.
Environmental precautions: Prevent product from entering drains.
Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it.
containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with
up: appropriate laws and regulations.

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Section 7. HANDLING AND STORAGE
Handling
Technical measures: Handling is performed in a well ventilated place. Wear suitable protective equipment.
Prevent dispersion of dust. Wash hands and face thoroughly after handling.
Use a local exhaust if dust or aerosol will be generated.
Avoid contact with skin, eyes and clothing.
Advice on safe handling:
Storage
Storage conditions: Keep container tightly closed. Store in a cool and dark place.
Store away from incompatible materials such as oxidizing agents.
Packaging material: Law is followed.

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Section 8. EXPOSURE CONTROLS / PERSONAL PROTECTION
Engineering controls: Install a closed system or local exhaust as possible so that workers should not be
exposed directly. Also install safety shower and eye bath.
Personal protective equipment
Respiratory protection: Dust respirator. Follow local and national regulations.
Hand protection: Protective gloves.
Safety glasses. A face-shield, if the situation requires.
Eye protection:
Skin and body protection: Protective clothing. Protective boots, if the situation requires.

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Physical state (20°C): Solid
crystal - powder
Form:
Color: White - Almost white
No data available
Odor:
pH: No data available
Melting point/freezing point:No data available
Boiling Point/Range: No data available
No data available
Flash Point:
Explosive limits
No data available
Lower:
Upper: No data available
No data available
Density:
Solubility: Soluble in : Water

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Section 10. STABILITY AND REACTIVITY
Stability: Stable under proper conditions.
Reactivity: No special reactivity has been reported.
Incompartible materials: oxidizing agents
Hazardous Decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx)
Products:
Hydrate

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Section 11. TOXICOLOGICAL INFORMATION
No data available
Acute Toxicity:
Skin corrosion/irritation: No data available
No data available
Serious eye
damage/irritation:
No data available
Germ cell mutagenicity:
Carcinogenicity:
No data available
IARC =
NTP = No data available
No data available
Reproductive toxicity:

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Section 12. ECOLOGICAL INFORMATION
Ecotoxicity:
Fish: No data available
Crustacea: No data available
Algae: No data available
Persistence / degradability: No data available
Bioaccumulative No data available
potential(BCF):
Mobillity in soil
log Pow: No data available
Soil adsorption (Koc): No data available
Henry's Law No data available
constant(PaM3/mol):

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Section 13. DISPOSAL CONSIDERATIONS
Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material
with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system.
Observe all federal, state and local regulations when disposing of the substance.

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Section 14. TRANSPORT INFORMATION
Hazards Class: Does not correspond to the classification standard of the United Nations
UN-No: Not Listed

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Section 15. REGULATORY INFORMATION
Safe management ordinance of dangerous chemical product (State Council announces on January 26,
2002): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were
prescribed.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3A-氨基-3A-脱氧-(2AS,3AS)-γ-环糊精水合物 、 (+)生物素-N-琥珀酰亚胺基酯 在 三乙胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以88%的产率得到3A-(1-biotinylamido)-3A-deoxy-2(S),3(R)-γ-CD
  参考文献：
  名称：

  Cyclodextrin-functionalised gold nanoparticles via streptavidin: a supramolecular approach

  摘要：

  Biofunctionalised nanoparticles (NPs) have received increased attention both for their potential use as drug carriers and imaging agents and for their applications in medical diagnostics. Functionalised gold nanoparticles (AuNPs) bring together their unique electronic and optical properties (including strong plasmon absorption bands and enhanced light scattering) with the specific capabilities of the functionalising biological molecule. Cyclodextrins (CDs) have been used to functionalise NPs with different approaches. CDs are able to protect from physical, chemical and enzymatic degradation drugs that are included in their cavity. In this study, we report on a new supramolecular approach for the fabrication of CD-functionalised AuNPs. Particularly, we synthesised streptavidin (SA)-coated NPs modified with biotinylated - and -CD, in order to exploit the interaction with SA.

  DOI：

  10.1080/10610278.2013.794278
• 作为产物：
  描述：

  2^A,3^A-epoxy-manno-γ-cyclodextrin 在 ammonium hydroxide 作用下， 以 水 为溶剂， 反应 4.0h， 以56.7%的产率得到3A-氨基-3A-脱氧-(2AS,3AS)-γ-环糊精水合物
  参考文献：
  名称：

  Synthesis of C6A-to-C6A and C3A-to-C3A diamide linked γ-cyclodextrin dimers

  摘要：

  The syntheses of three new diamide-linked gamma-cyclodextrin dimers joined by substitution at either a glucopyranose C6(A) or C3(A) carbon are reported. The syntheses involve the reaction of either C6(A) or C3(A) amino-substituted gamma-cyclodextrin with bis(4-nitrophenyl)succinate to form succinamide linked gamma-cyclodextrin dimers or reaction of C6(A) aside-substituted gamma-cyclodextrin with carbon dioxide to form a urea linked gamma-cyclodextrin dimer. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tet.2010.02.005

文献信息

• Pressure and Temperature-Controlled Enantiodifferentiating [4+4] Photocyclodimerization of 2-Anthracenecarboxylate Mediated by Secondary Face- and Skeleton-Modified γ-Cyclodextrins
  作者：Cheng Yang、Asao Nakamura、Gaku Fukuhara、Yumi Origane、Tadashi Mori、Takehiko Wada、Yoshihisa Inoue

  DOI：10.1021/jo0601718

  日期：2006.4.1

  A series of secondary-face-substituted and skeleton-modified gamma-cyclodextrins (gamma-CDs) were prepared as chiral hosts for enantiodifferentiating [4+4] photocyclodimerization reactions of 2-anthracenecarboxylic acid (AC). These gamma-CD derivatives form stable ternary complexes with ACs, with altroside-bearing gamma-CDS undergoing induced-fit conformational changes upon complexation, and the photocyclodimerization of AC was, thus, dramatically accelerated. The enantiomeric excess (ee) of anti-head-to-head cyclodimer 3 was greatly enhanced in general with altroside-bearing gamma-CDs 7-9. Although mono-altro-gamma-CD 9 and 3(A)-azido-3(A)-deoxy-altro-gamma-CD 7 gave 2 in ee's smaller than those obtained with native gamma-CD, 3(A)-amino-3(A)-deoxy-altro-gamma-CD 8 yielded 2 in much higher ee's, which is likely to be ascribed to the combined effects of the less-symmetric cavity and the electrostatic interactions. The influence of temperature and high pressure on the supramolecular photochirogenic reaction has been investigated in depth. An ee as high as 71% was obtained for cyclodimer 2 in the photocyclodimerization of AC mediated by 8 at 210 MPa and -21.5 degrees C.
• Cyclodextrin-functionalised gold nanoparticles via streptavidin: a supramolecular approach
  作者：Valentina Oliveri、Roberta D'Agata、Valentina Giglio、Giuseppe Spoto、Graziella Vecchio

  DOI：10.1080/10610278.2013.794278

  日期：2013.8.1

  Biofunctionalised nanoparticles (NPs) have received increased attention both for their potential use as drug carriers and imaging agents and for their applications in medical diagnostics. Functionalised gold nanoparticles (AuNPs) bring together their unique electronic and optical properties (including strong plasmon absorption bands and enhanced light scattering) with the specific capabilities of the functionalising biological molecule. Cyclodextrins (CDs) have been used to functionalise NPs with different approaches. CDs are able to protect from physical, chemical and enzymatic degradation drugs that are included in their cavity. In this study, we report on a new supramolecular approach for the fabrication of CD-functionalised AuNPs. Particularly, we synthesised streptavidin (SA)-coated NPs modified with biotinylated - and -CD, in order to exploit the interaction with SA.
• Synthesis of C6A-to-C6A and C3A-to-C3A diamide linked γ-cyclodextrin dimers
  作者：Duc-Truc Pham、Huy Tien Ngo、Stephen F. Lincoln、Bruce L. May、Christopher J. Easton

  DOI：10.1016/j.tet.2010.02.005

  日期：2010.4

  The syntheses of three new diamide-linked gamma-cyclodextrin dimers joined by substitution at either a glucopyranose C6(A) or C3(A) carbon are reported. The syntheses involve the reaction of either C6(A) or C3(A) amino-substituted gamma-cyclodextrin with bis(4-nitrophenyl)succinate to form succinamide linked gamma-cyclodextrin dimers or reaction of C6(A) aside-substituted gamma-cyclodextrin with carbon dioxide to form a urea linked gamma-cyclodextrin dimer. (C) 2010 Elsevier Ltd. All rights reserved.