TMN 355
(Synonyms: 2-氯-N-[(9H-芴-9-氨基)羰基]-6-氟苯甲酰胺) 目录号 : GC15699An inhibitor of cyclophilin A
Cas No.:1186372-20-2
Sample solution is provided at 25 µL, 10mM.
Quality Control & SDS
- View current batch:
- Purity: >99.50%
- COA (Certificate Of Analysis)
- SDS (Safety Data Sheet)
- Datasheet
IC50: 1.52 nM
TMN 355 is a potent cyclophilin A inhibitor, approximately 27 times more potent than cyclosporin A.
In vitro: Remarkably, the PPIase inhibitory activities of derivative TMN 355 has increased up to 1.52 nM, , which are about 27 times more potent than that of CsA. The binding models the most potent inhibitor TMN 355 to CypA was generated by using AUTODOCK 324 and applying a Lamarckian genetic algorithm with a grid space set to be 0.375. Obviously, the binding model of compound 1 to CypA is very similar to that of TMN 355 to CypA, the planar fluorene ring inserts vertically into the hydrophobic gorge area in site A and then forms favorable hydrophobic interactions on account of these two types of appropriate terminal fragments, the acylurea linker of compounds 1 and TMN 355 adopted properly an orientation and interacted well with the saddle site. The interaction models also exhibited that both compounds 1 and TMN 355 form seven hydrogen bonds with residues Arg55, Gln63, and Asn102 in the saddle site. Furthermore, TMN 355 contains a chlorine atom that may impart hydrophobic interaction. The additional interaction was regarded as one of the key factors leading to 20 times potency improvement of TMN 355 compared with compound 1.
In vivo: So far, no study in vivo has been conducted.
Clinical trial: So far, no clinical study has been conducted.
Reference:
[1]. Ni S, Yuan Y, Huang J, Mao X, Lv M, Zhu J, Shen X, Pei J, Lai L, Jiang H, Li J. Discovering potent small molecule inhibitors of cyclophilin A using de novo drug design approach. J Med Chem. 2009 Sep 10;52(17):5295-8. doi: 10.1021/jm9008295.
Cas No. | 1186372-20-2 | SDF | |
别名 | 2-氯-N-[(9H-芴-9-氨基)羰基]-6-氟苯甲酰胺 | ||
化学名 | (Z)-N-((Z)-((9H-fluoren-9-yl)imino)(hydroxy)methyl)-2-chloro-6-fluorobenzimidic acid | ||
Canonical SMILES | ClC1=C(/C(O)=N/C(O)=N/C2C3=CC=CC=C3C4=CC=CC=C42)C(F)=CC=C1 | ||
分子式 | C21H14ClFN2O2 | 分子量 | 380.8 |
溶解度 | <15.23mg/ml in DMSO | 储存条件 | Store at RT |
General tips | 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 储存时,请在 6 个月内使用,-20°C 储存时,请在 1 个月内使用。 为了提高溶解度,请将管子加热至37℃,然后在超声波浴中震荡一段时间。 |
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Shipping Condition | 评估样品解决方案:配备蓝冰进行发货。所有其他可用尺寸:配备RT,或根据请求配备蓝冰。 |
制备储备液 | |||
1 mg | 5 mg | 10 mg | |
1 mM | 2.6261 mL | 13.1303 mL | 26.2605 mL |
5 mM | 0.5252 mL | 2.6261 mL | 5.2521 mL |
10 mM | 0.2626 mL | 1.313 mL | 2.6261 mL |
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给药剂量 | mg/kg | 动物平均体重 | g | 每只动物给药体积 | ul | 动物数量 | 只 | |||
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% DMSO % % Tween 80 % saline | ||||||||||
计算重置 |
计算结果:
工作液浓度: mg/ml;
DMSO母液配制方法: mg 药物溶于 μL DMSO溶液(母液浓度 mg/mL,
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1. 首先保证母液是澄清的;
2.
一定要按照顺序依次将溶剂加入,进行下一步操作之前必须保证上一步操作得到的是澄清的溶液,可采用涡旋、超声或水浴加热等物理方法助溶。
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