| NCT-501Aldehyde Dehydrogenase 1A1 (ALDH1A1) inhibitor, Potent and Selective |
Sample solution is provided at 25 µL, 10mM.
Nature.2017 Jan 19;541(7637):417-420.
Nature.2018 Nov;563(7731):407-411.Nature.2018 Jun 13.Nature.2018 Jun 27.Nature.2018 Mar 29;555(7698):673-677.Nature.2017 Sep 7;549(7670):96-100.Nature.2016 Apr 21;532(7599):398-401.
Science.2016 Aug 5;353(6299)594-8Nat Nanotechnol.2017 Dec;12(12):1190-1198.Nature Biotechnology.2017 Jun;35(6):569-576Nat Med.2018 Sep 17.Cell.2018 Dec 21. pii: S0092-8674(18)31561-7.Cell.Available online 25 October 2018.Cell.2018 Sep 27. pii: S0092-8674(18)31183-8.Cell.2018 Jun 28;174(1):172-186.e21.Cell.2018 Feb 22;172(5):1007-1021.e17.Cell.2017 Nov 30;171(6):1284-1300.e21.Cell.2017 Aug 17. pii: S0092-8674(17)30869-3.Cell.2017 Jul 13;170(2):312-323Nat Med.2018 Jan 29.Nat Med.2017 Nov;23(11):1342-1351.Cell.2017 Apr 6;169(2):286-300.Cell.2015 Aug 27;162(5):987-1002.Cell.2015 Feb 12;160(4):729-44.Nature Medicine.2017 Apr;23(4):493-500.Cancer Cell.2018 May 14;33(5):905-921.e5.Cancer Cell.2018 Apr 9;33(4):752-769.e8.Cancer Cell.2018 Mar 12;33(3):401-416.e8.Cancer Cell.2017 Aug 14;32(2):253-267.e5.Nat Methods.2018 Jul;15(7):523-526.Cell Stem Cell.2018 May 3;22(5):769-778.e4.Cell Stem Cell.2017 Nov 20. pii: S1934-5909(17)30375-2.Quality Control & MSDS
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- Purity = 99.65%
- COA (Certificate Of Analysis)
- HPLC
- NMR (Nuclear Magnetic Resonance)
- MSDS (Material Safety Data Sheet)
- Datasheet
Chemical structure
| Cell experiment [1]: | |
Cell lines | Cal-27 CisR cells |
Preparation method | This compound is soluble in DMSO. General tips for obtaining a higher concentration: Please warm the tube at 37 °C for 10 minutes and/or shake it in the ultrasonic bath for a while. Stock solution can be stored below - 20 °C for several months. |
Reacting condition | 10, 20, 40 and 80 nM |
Applications | At the doses of 40 and 80 nM, NCT-501 reduced the self-renewal property and the migratory potential of Cal-27 CisR cells. In Cal-27 CisR cells treated with 20 μM Cisplatin and 20 nM NCT-501, the cell viability decreased by 16%, but the difference was not statistically significant. |
| Animal experiment [1]: | |
Animal models | Nude mice bearing Cal-27 CisR cells |
Dosage form | 100 μg; intra-tumorally; every alternate day for 20 days |
Applications | In nude mice bearing Cal-27 CisR cells, NCT-501 inhibited tumor growth by 78%. Tumor growth kinetics showed a 3.3-fold increase in tumor volume in the control group but only a 1.6-fold increase in the treatment group. Compared with the control group, the treatment group exhibited similar weight loss over the period of study. |
Other notes | Please test the solubility of all compounds indoor, and the actual solubility may slightly differ with the theoretical value. This is caused by an experimental system error and it is normal. |
References: [1]. Yang S M, Yasgar A, Miller B, et al.Discovery of NCT-501, a Potent and Selective Theophylline-Based Inhibitor of Aldehyde Dehydrogenase 1A1 (ALDH1A1)[J]. Journal of medicinal chemistry, 2015, 58(15): 5967-5978. | |
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| Cas No. | 1802088-50-1 | SDF | Download SDF |
| Chemical Name | 8-((4-(cyclopropanecarbonyl)piperazin-1-yl)methyl)-7-isopentyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione | ||
| Canonical SMILES | CC(CCN1C(CN2CCN(C(C3CC3)=O)CC2)=NC(N(C4=O)C)=C1C(N4C)=O)C | ||
| Formula | C21H32N6O3 | M.Wt | 416.52 |
| Solubility | ≥20.85mg/mL in DMSO with gentle warming | Storage | Store at -20°C |
| Physical Appearance | A solid | Shipping Condition | Evaluation sample solution : ship with blue ice.All other available size:ship with RT , or blue ice upon request |
| General tips | For obtaining a higher solubility , please warm the tube at 37 ℃ and shake it in the ultrasonic bath for a while.Stock solution can be stored below -20℃ for several months. | ||
NCT-501 is a potent and selective theophylline-based inhibitor of aldehyde dehydrogenase 1A1 (ALDH1A1).Aldehyde dehydrogenases (ALDHs) metabolize reactive aldehydes and play important physiological and toxicological functions in metabolic disorders and cancers. ALDH1A1can be used as the marker of malignant prostate stem cells and predictor of prostate cancer patients" outcome. Over-expression of ALDH is associated with some types of cancers. Selective inhibitors targeted ALDH isozymes could preventspheroids formation in vitro and the size of xenograft tumors formed in vivo.
For more than 450 human kinases, NCT-501 treatment at 10 µM inhibited ≥55% activity of these kinases. NCT-501 reversibly inhibited ALDH1A1.The plasma exposure for intraperitoneal administration (ip) at 30 mg/kg showed better than the oral administration (p.o) at 30 mg/kg. The values of AUC 24h were 5670 h·ng/mL and 484 h·ng/mL along with 100% and 29% bioavailability, respectively. The t1/2 was shorter than 1h. The clearance level was 98 mL/min/kg. These results together indicated that NCT-501 was well absorbed and distributed but rapidly metabolized or excreted. In vitro stability of NCT-501in CD1 mouse plasma was more than 60 min.
Reference:Yang S M, Yasgar A, Miller B, et al. Discovery of NCT-501, a Potent and Selective Theophylline-Based Inhibitor of Aldehyde Dehydrogenase 1A1 (ALDH1A1)[J]. Journal of medicinal chemistry, 2015, 58(15): 5967-5978.
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1） 物素N—羟基丁二酰亚胺酯（biotinyl-N-hydroxy-succinnimideBNHS）制备：
取物素1g混悬于12 mlN,N-二甲基甲酰胺(DMF)加0．6g N-羟基丁二酰亚胺(HOSU)0. 8 g二环基碳二亚胺(DCC)置于密闭容器内室温磁力搅拌作用夜滤滤液经旋转蒸干加10mL乙醚洗涤继加200 ml异丙醇使其重结晶获白色粉末状晶体
BNHS酯键-C=0基团与蛋白质赖氨酸氨基结合使物素标记蛋白含赖氨酸残基越或蛋白质等电点pI 6.0其标记效越BNHS适用于标记抗体及性偏碱性抗原
河南省郑州市所以食品添加剂有限公司 维生素H1价格 [未实名认证] 国产 1*20 435 元/kg
叶酸和生物素都属于B族维生素,
对维持机体的生理功能有重要作用。
现配现用
链接很容易，就用EDC或者CMC等碳二亚胺，是最容易在羧基和氨基之间催化形成酰胺键，反应条件就是0到4度，过夜，用磁力搅拌子温和搅拌，pH<7反应快，不过pH=7或稍微pH>7也关系不大。EDC或者CMC等碳二亚胺催化活性极高，而且一般的蛋白质的分子表面总有Lys,Arg,Asn,Gln，所以游离在分子表面的羧基和氨基总是不少的，参与反应的两种蛋白质用大致10：1的比例混合（哪种蛋白质便宜，哪种蛋白质的物质的量就大些，但是这不是全部原因），反应样品浓度就按照平时使用时的浓度或略微更低浓度（别用储存液的浓度）即可。很容易反应，而且EDC或者CMC等碳二亚胺是零臂连接试剂，用于空间位阻，形成多分子交联可能较小，即使形成了也很容易用分子筛层析按照分子量区分开。
参与反应的两种蛋白质用大致10：1的比例混合（哪种蛋白质便宜，哪种蛋白质的物质的量就大些，但是这不是全部原因），为了避免两种蛋白质之间发生交联成为串联，因为一种蛋白质形成串联的可能性低一些；即使要形成串联的蛋白质串珠，最好也不要是价格高的那种；另外，EDC或者CMC等碳二亚胺催化活性极高，室温下即会催化，所以要在0到4度，过夜，用磁力搅拌子温和搅拌，一方面避免碳二亚胺催化活性太高形成串联的蛋白质串珠，另一方面，保护蛋白质不变性；反应样品浓度就按照平时使用时的浓度或略微更低浓度（别用储存液的浓度）即可，为什么？因为浓度高了更易形成串联的蛋白质串珠结构，浓度低了，没有反应成功，通过分子筛层析还可以分离出来接着连接，如果形成了酰胺键再要专一性切开就没有那么容易了。
