1-苄基-3-(叔丁基)-1H-吡唑-5-羧酸, 99%|1-Benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxylic acid|cas:100957-85-5|西域试剂

1-苄基-3-(叔丁基)-1H-吡唑-5-羧酸, 99%,1-Benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxylic acid

产品编号：西域试剂-WR197108| CAS NO：100957-85-5| MDL NO：MFCD02090479| 分子式：C₁₅H₁₈N₂O₂| 分子量：258.32

SORT-PGRN interaction inhibitor 1 是一种有效的 sortilin-progranulin 相互作用的抑制剂，IC50 为 2 μM。

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货号	价格	库存与货期
西域试剂-WR197108	￥506.00	杭州北京（现货）
西域试剂-WR197108	￥1027.00	杭州北京（现货）
西域试剂-WR197108	￥2770.00	杭州北京（现货）

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英文名称

1-Benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxylic acid

CAS编号

100957-85-5

产品描述

SORT-PGRN interaction inhibitor 1 是一种有效的 sortilin-progranulin 相互作用的抑制剂，IC50 为 2 μM。

产品熔点

126ºC

产品沸点

438.4ºC at 760 mmHg

产品密度

1.12g/cm3

产品闪点

218.9ºC

精确质量

258.13700

PSA

55.12000

LogP

2.92710

蒸气压

1.85E-08mmHg at 25°C

折射率

1.568

溶解性数据

In Vitro:

DMSO : 100 mg/mL (387.12 mM; Need ultrasonic)

配制储备液

浓度溶剂体积质量	1 mg	5 mg	10 mg

1 mM	3.8712 mL	19.3558 mL	38.7117 mL
5 mM	0.7742 mL	3.8712 mL	7.7423 mL
10 mM	0.3871 mL	1.9356 mL	3.8712 mL

请根据产品在不同溶剂中的溶解度选择合适的溶剂配制储备液；一旦配成溶液，请分装保存，避免反复冻融造成的产品失效。
储备液的保存方式和期限：-80°C, 6 months; -20°C, 1 month。-80°C 储存时，请在 6 个月内使用，-20°C 储存时，请在 1 个月内使用。

In Vivo:

请根据您的实验动物和给药方式选择适当的溶解方案。以下溶解方案都请先按照 In Vitro 方式配制澄清的储备液，再依次添加助溶剂：

——为保证实验结果的可靠性，澄清的储备液可以根据储存条件，适当保存；体内实验的工作液，建议您现用现配，当天使用；以下溶剂前显示的百
分比是指该溶剂在您配制终溶液中的体积占比；如在配制过程中出现沉淀、析出现象，可以通过加热和/或超声的方式助溶

1.

请依序添加每种溶剂： 10% DMSO 40% PEG300 5% Tween-80 45% saline
Solubility: ≥ 2.5 mg/mL (9.68 mM); Clear solution

此方案可获得 ≥ 2.5 mg/mL (9.68 mM，饱和度未知) 的澄清溶液。
以 1 mL 工作液为例，取 100 μL 25.0 mg/mL 的澄清 DMSO 储备液加到 400 μL PEG300 中，混合均匀；向上述体系中加入50 μL Tween-80，混合均匀；然后继续加入 450 μL生理盐水定容至 1 mL。
将 0.9 g 氯化钠，完全溶解于 100 mL ddH₂O 中，得到澄清透明的生理盐水溶液
2.

请依序添加每种溶剂： 10% DMSO 90% (20% SBE-β-CD in saline)
Solubility: ≥ 2.5 mg/mL (9.68 mM); Clear solution

此方案可获得 ≥ 2.5 mg/mL (9.68 mM，饱和度未知) 的澄清溶液。
以 1 mL 工作液为例，取 100 μL 25.0 mg/mL 的澄清 DMSO 储备液加到 900 μL 20% 的 SBE-β-CD 生理盐水水溶液中，混合均匀。
将 2 g 磺丁基醚 β-环糊精加入 5 mL 生理盐水中，再用生理盐水定容至 10 mL，完全溶解，澄清透明
3.

请依序添加每种溶剂： 10% DMSO 90% corn oil
Solubility: ≥ 2.5 mg/mL (9.68 mM); Clear solution

此方案可获得 ≥ 2.5 mg/mL (9.68 mM，饱和度未知) 的澄清溶液，此方案不适用于实验周期在半个月以上的实验。
以 1 mL 工作液为例，取 100 μL 25.0 mg/mL 的澄清 DMSO 储备液加到 900 μL玉米油中，混合均匀。

*以上所有助溶剂都可在西域网站选购。

靶点

IC50: 2 μM (Sortilin-progranulin interaction)

体外研究

SORT-PGRN相互作用抑制剂1（化合物2），具有足够的效力和理化性质，能够与sortilin共结晶。

化学品安全说明书(MSDS)

下载MSDS

质检证书(COA)

相关产品

危害码 (欧洲)	Xi
风险声明 (欧洲)	R36/37/38
安全声明 (欧洲)	S26
海关编码	2933199090

Name:	1-Benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxylic acid 95+% Material Safety Data Sheet
Synonym:
CAS:	100957-85-5

Section 1 - Chemical Product MSDS Name:1-Benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxylic acid 95+% Material Safety Data Sheet
Synonym:

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
100957-85-5	1-Benzyl-3-(tert-butyl)-1H-pyrazole-5-	95+%	unlisted

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

Section 3 - HAZARDS IDENTIFICATION

EMERGENCY OVERVIEW
Irritating to eyes, respiratory system and skin.
Potential Health Effects
Eye:
Causes eye irritation.
Skin:
Causes skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. May be harmful if swallowed.
Inhalation:
Causes respiratory tract irritation. May be harmful if inhaled.
Chronic:
Not available.

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:
Treat symptomatically and supportively.

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.

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.

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.

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# 100957-85-5: 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.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Solid
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: 123 - 126 deg C
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: C15H18N2O2
Molecular Weight: 258

Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not available.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Strong oxidizing agents, reducing agents, bases, amines.
Hazardous Decomposition Products:
Nitrogen oxides, carbon monoxide, carbon dioxide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 100957-85-5 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
1-Benzyl-3-(tert-butyl)-1H-pyrazole-5-carboxylic acid - 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
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# 100957-85-5: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 100957-85-5 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 100957-85-5 is not listed on the TSCA inventory.
It is for research and development use only.

SECTION 16 - ADDITIONAL INFORMATION
N/A

[1]. Shawn J Stachel, et al. Identification of potent inhibitors of the sortilin-progranulin interaction. Bioorg Med Chem Lett. 2020 Sep 1;30(17):127403.