16-[4-(2,4-Dihydroxy-5-methyl-6-propan-2-yloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one | 88899-55-2

• 物质功能分类: 原料药 - 人工合成抗感染类药 - 抗真菌类药
• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 大环内酯类和类似物
• 英文名称: 16-[4-(2,4-Dihydroxy-5-methyl-6-propan-2-yloxan-2-yl)-3-hydroxypentan-2-yl]-8-hydroxy-3,15-dimethoxy-5,7,9,11-tetramethyl-1-oxacyclohexadeca-3,5,11,13-tetraen-2-one
• CAS: 88899-55-2
• 化学式: C₃₅H₅₈O₉
• 分子量: 622.8
• InChiKey: XDHNQDDQEHDUTM-UHFFFAOYSA-N

物化性质

• 熔点：
  >106°C (dec.)
• 沸点：
  582.86°C (rough estimate)
• 密度：
  1.0594 (rough estimate)
• 闪点：
  87℃
• 溶解度：
  溶于 DMSO（高达 5 mg/ml，加热）。

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  44
• 可旋转键数：
  7
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.74
• 拓扑面积：
  135
• 氢给体数：
  4
• 氢受体数：
  9

安全信息

• 危险等级：
  6.1(b)
• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 海关编码：
  29419090
• 危险品运输编号：
  UN 3172
• 包装等级：
  III
• 危险类别：
  6.1(b)
• 危险性防范说明：
  P201,P202,P264,P270,P280,P301+P312+P330,P308+P313,P405,P501
• 危险性描述：
  H302,H340,H350,H360
• 储存条件：
  2-8°C冷藏保存

SDS

Name:	Bafilomycin A1 Material Safety Data Sheet
Synonym:
CAS:	88899-55-2

Section 1 - Chemical Product MSDS Name:Bafilomycin A1 Material Safety Data Sheet
Synonym:

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
88899-55-2	Bafilomycin A1		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.
Skin:
Causes skin irritation.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
Causes respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
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 extinguishing media most appropriate for the surrounding fire.

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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 tightly closed container. Deep freeze (below -20C).

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 88899-55-2: 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: Powder
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: soluble in ethanol
Specific Gravity/Density:
Molecular Formula:
Molecular Weight: 622.80

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, carbon dioxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 88899-55-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Bafilomycin A1 - 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
No information available.
IMO
No information available.
RID/ADR
No information available.

---

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# 88899-55-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 88899-55-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 88899-55-2 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

制备方法与用途

生物活性

巴利福霉素A1（Baf-A1）是一种液泡H+-ATPase抑制剂，IC50值为0.44 nM。研究表明，巴利福霉素A1能够抑制自噬并诱导凋亡。

靶点

Target	Value
H+-ATPase (Cell-free assay)	0.44 nM

体外研究

巴利福霉素A1是一种源自灰色链霉菌的有毒的大环内酯类抗生素。该化合物能够抑制外套膜上皮细胞（OME）诱导的短路电流，其IC50值为0.17 μM，最大抑制剂量为0.5 μM。此外，它还能够抑制酸内流，IC50值为0.4 nM，并且以剂量依赖性方式抑制酸化，导致较低的淬灭和更高的荧光性。

巴利福霉素A1能够防止幽门螺杆菌（H. pylori）细胞诱导的HeLa细胞空泡化，其ID50值为4 nM。该化合物还能有效恢复空泡细胞至正常形态，并影响内吞物质从早期到晚期内吞区的转运过程，在HeLa细胞中不仅消耗较低的内体pH，还会阻断从早期到晚期内体的转运。

在BNL CL.2 和 A431细胞中，与吖啶橙共培养表明巴利福霉素A1在0.1-1 μM剂量下完全抑制溶酶体酸化。当将巴利福霉素A1加入Hanks平衡盐溶液时，内源性蛋白质降解被强烈抑制，并且众多自噬体会聚集在H-4-II-E细胞中。此外，该化合物还能防止自噬泡中吞饮HRP的出现。

体内研究

巴利福霉素A1（1 μM和0.1 μM）完全抑制培养的破骨细胞的再摄取活性。剂量依赖性地抑制年轻罗非鱼体内的钠离子吸收，Ki值为0.16 μM。