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13803-65-1

13803-65-1结构式
13803-65-1结构式
  • 常用中文名:盐酸脱水四环素
  • 常用英文名:Anhydrotetracycline Hydrochloride
  • CAS号:13803-65-1
  • 分子式:C22H23ClN2O7
  • 分子量:462.880
  • 相关类别: 生物化工 糖类化合物 双糖
  • 发布时间:2018-07-14 10:35:28
  • 更新时间:2024-01-02 13:20:13
  • 盐酸脱水四环素是四环素生物合成的前体,是一种有效的竞争性广谱四环素破坏酶抑制剂。盐酸脱水四环素是真核细胞中四环素控制基因表达系统的效应剂[1]。

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中文名 乳糖
英文名 anhydrotetracycline hydrochloride
中文别名 脱水四环素盐酸盐
英文别名 (4S,4aS,12aS)-4-(DiMethylaMino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-Methyl-1,12-dioxo-2-naphthacenecarboxaMide Hydrochloride
(4S,4aS,12aS)-4-(Dimethylamino)-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-1,4,4a,5,12,12a-hexahydro-2-tetracenecarboxamide hydrochloride (1:1)
Anhydrotetracycline hydrochloride,'can be used as secondary standard.'
(4S,4AS,12AS)-4-(DIMETHYLAMINO)-1,4,4A,5,12,12A-HEXAHYDRO-3,10,11,12A-TETRAHYDROXY-6-METHYL-1,12-DIOXO-2-NAPHTHACENECARBOXAMIDE MONOHYDROCHLORIDE
(4aS)-4c-Dimethylamino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-(4ar,12ac)-1,4,4a,5,12,12a-hexahydro-naphthacen-2-carbonsaeure-amid,Hydrochlorid
Anhydrotetracycline hydrochloride,‘can be used as a secondary standard‘
5A,6-ANHYDROTETRACYCLINEHYDROCHLORIDE
2-Naphthacenecarboxamide, 4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-, (4S,4aS,12aS)-, hydrochloride (1:1)
Anhydrotetracycline hydrochloride
2-Naphthacenecarboxamide,4-(dimethylamino)-1,4,4a,5,12,12a-hexahydro-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-,monohydrochloride,(4S,4aS,12aS)
AnhydrotetracyclineHCl
Anhydrotetracycline hydrochloride,'can be used as a secondary standard'
(4aS)-4c-dimethylamino-3,10,11,12a-tetrahydroxy-6-methyl-1,12-dioxo-(4ar,12ac)-1,4,4a,5,12,12a-hexahydro-naphthacene-2-carboxylic acid amide,hydrochloride
MFCD00151453
描述 盐酸脱水四环素是四环素生物合成的前体,是一种有效的竞争性广谱四环素破坏酶抑制剂。盐酸脱水四环素是真核细胞中四环素控制基因表达系统的效应剂[1]。
相关类别
体外研究 盐酸脱水四环素对四环素类药物Tet(50)(IC50=210μM)、Tet(X)(IC50=41μM)、Tet(X)3(IC50=3μM)的降解有抑制作用。盐酸脱水四环素对金霉素Tet(50)(IC50=210μM)、Tet(X)(IC50=75μM)、Tet(X)Β3(IC50=26μM)的降解有抑制作用。盐酸脱水四环素抑制去甲氯环素的Tet(50)(IC50=120μM)、Tet(X)(IC50=41μM)、Tet(X)3(IC50=7μM)降解[1]。盐酸脱水四环素对四环素类药物Tet(50)(IC50=210μM)、Tet(X)(IC50=41μM)、Tet(X)3(IC50=3μM)的降解有抑制作用。盐酸脱水四环素对金霉素Tet(50)(IC50=210μM)、Tet(X)(IC50=75μM)、Tet(X)Β3(IC50=26μM)的降解有抑制作用。盐酸脱水四环素抑制去甲氯环素的Tet(50)(IC50=120μM)、Tet(X)(IC50=41μM)、Tet(X)3(IC50=7μM)降解[1]。
参考文献

[1]. Jana L Markley, et al. Semisynthetic Analogues of Anhydrotetracycline as Inhibitors of Tetracycline Destructase Enzymes. ACS Infect Dis. 2019 Apr 12;5(4):618-633.

沸点 618.6ºC at 760 mmHg
熔点 222.8ºC
分子式 C22H23ClN2O7
分子量 462.880
闪点 327.9ºC
精确质量 462.119385
PSA 161.39000
LogP 1.95810
外观性状 浅黄色至黄色至橙色至棕色粉末
蒸汽压 3.66E-16mmHg at 25°C
储存条件

密闭于阴凉干燥环境中

稳定性

遵照规定使用和储存则不会分解。

分子结构

1、摩尔折射率:无可用

2、 摩尔体积(cm3/mol):无可用

3、 等张比容(90.2K):无可用

4、 表面张力(dyne/cm):无可用

5、 极化率:无可用

计算化学

1、 疏水参数计算参考值(XlogP):3

2、 氢键供体数量:6

3、 氢键受体数量:8

4、 可旋转化学键数量:1

5、 拓扑分子极性表面积(TPSA):163

6、 重原子数量:31

7、 表面电荷:1

8、 复杂度:855

9、 同位素原子数量:0

10、 确定原子立构中心数量:3

11、 不确定原子立构中心数量:0

12、 确定化学键立构中心数量:0

13、 不确定化学键立构中心数量:1

14、 共价键单元数量:1

更多

1. 性状:无可用

2. 密度(g/mL,25/4℃):无可用

3. 相对蒸汽密度(g/mL,空气=1):无可用

4. 熔点(ºC):223

5. 沸点(ºC,常压):无可用

6. 沸点(ºC,5.2kPa):无可用

7. 折射率:无可用

8. 闪点(ºC):无可用

9. 比旋光度(º):无可用

10. 自燃点或引燃温度(ºC):无可用

11. 蒸气压(kPa,25ºC):无可用

12. 饱和蒸气压(kPa,60ºC):无可用

13. 燃烧热(KJ/mol):无可用

14. 临界温度(ºC):无可用

15. 临界压力(KPa):无可用

16. 油水(辛醇/水)分配系数的对数值:无可用

17. 爆炸上限(%,V/V):无可用

18. 爆炸下限(%,V/V):无可用

19. 溶解性:无可用

Name: Anhydrotetracycline Hydrochloride "can be used as Secondary Material Safety Data Sheet
Synonym: None
CAS: 13803-65-1
Section 1 - Chemical Product MSDS Name:Anhydrotetracycline Hydrochloride "can be used as Secondary Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
13803-65-1 Anhydrotetracycline Hydrochloride 100 unlisted
Hazard Symbols: XN
Risk Phrases: 63

Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
Possible risk of harm to the unborn child.Light sensitive.Moisture sensitive.Air sensitive.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
Ingestion:
May cause gastrointestinal irritation with nausea, vomiting and diarrhea. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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 immediately.
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:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid immediately.
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:

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. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas.
Extinguishing Media:
Use agent most appropriate to extinguish fire. Use water spray, dry chemical, carbon dioxide, or appropriate foam.

Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Store protected from light. Store protected from air. Keep from contact with moist air and steam.
Storage:
Do not store in direct sunlight. Store in a tightly closed container. Store in a dry area. Store in a cool, dry, well-ventilated area away from incompatible substances. Do not expose to air. Store protected from moisture.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 13803-65-1: 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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: Not available.
Odor: None reported.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 223 deg C
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature: > 223 deg C
Solubility in water: in water: 1:200 m/v
Specific Gravity/Density:
Molecular Formula: C22H22N2O7.HCl
Molecular Weight: 464.89

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, light, dust generation, moisture, exposure to air, excess heat, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, irritating and toxic fumes and gases, carbon dioxide, nitrogen.
Hazardous Polymerization: Has not been reported.

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 13803-65-1 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Anhydrotetracycline Hydrochloride - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION


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

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.

Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 63 Possible risk of harm to the unborn child.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
S 36/37 Wear suitable protective clothing and
gloves.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 13803-65-1: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 13803-65-1 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 13803-65-1 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

生态学数据:

该物质对环境可能有危害,对水体应给予特别注意。

个人防护装备 Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
危害码 (欧洲) Xn
风险声明 (欧洲) R63
安全声明 (欧洲) S36/37/39
危险品运输编码 NONH for all modes of transport
海关编码 1702190000

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13803-65-1结构式

13803-65-1

文献:Journal of the American Chemical Society, , vol. 79, p. 2849,2856
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海关编码 1702190000