规格 | 价格 | |
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100mg | ||
250mg | ||
500mg |
靶点 |
SM-433, a Smac mimetic, function as inhibitor of inhibitor of apoptosis proteins (IAPs). XIAP BIR3 protein exhibits strong binding affinity for SM-433 with an IC50<1 μM [1].
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体外研究 (In Vitro) |
SM-433 对 SK-OV-3 卵巢癌细胞和 MDA-MB -2131 人乳腺癌细胞具有强抑制作用(IC50 分别 <10 μM)[1]。
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参考文献 |
[1]. Shaomeng Wang, et al. Diazo bicyclic smac mimetics and the uses thereof. WO2008128171A2.
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分子式 |
C32H43N5O4
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分子量 |
561.71
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精确质量 |
561.33
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元素分析 |
C, 68.42; H, 7.72; N, 12.47; O, 11.39
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CAS号 |
1071992-81-8
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相关CAS号 |
1071992-81-8
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外观&性状 |
Solid
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SMILES |
C[C@@H](C(=O)N[C@H]1CN(CC[C@H]2CC[C@H](N2C1=O)C(=O)NCC3=CC=CC=C3C4=CC=CC=C4)C(=O)CC(C)C)NC
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InChi Key |
SZVCBOBNBHXZKC-MZRLSVQCSA-N
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InChi Code |
InChI=1S/C32H43N5O4/c1-21(2)18-29(38)36-17-16-25-14-15-28(37(25)32(41)27(20-36)35-30(39)22(3)33-4)31(40)34-19-24-12-8-9-13-26(24)23-10-6-5-7-11-23/h5-13,21-22,25,27-28,33H,14-20H2,1-4H3,(H,34,40)(H,35,39)/t22-,25+,27-,28-/m0/s1
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化学名 |
(5S,8S,10aR)-5-[[(2S)-2-(methylamino)propanoyl]amino]-3-(3-methylbutanoyl)-6-oxo-N-[(2-phenylphenyl)methyl]-1,2,4,5,8,9,10,10a-octahydropyrrolo[1,2-a][1,5]diazocine-8-carboxamide
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别名 |
SM433; SM 433; SM-433; UNII-DH7Q8HYP47; DH7Q8HYP47
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HS Tariff Code |
2934.99.9001
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存储方式 |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
运输条件 |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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溶解度 (体外) |
DMSO: ~160 mg/mL (~284.8 mM)
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溶解度 (体内) |
Solubility in Formulation 1: ≥ 4 mg/mL (7.12 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 40.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 4 mg/mL (7.12 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 40.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C,1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 4 mg/mL (7.12 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. 1、请先配制澄清的储备液(如:用DMSO配置50 或 100 mg/mL母液(储备液)); 2、取适量母液,按从左到右的顺序依次添加助溶剂,澄清后再加入下一助溶剂。以 下列配方为例说明 (注意此配方只用于说明,并不一定代表此产品 的实际溶解配方): 10% DMSO → 40% PEG300 → 5% Tween-80 → 45% ddH2O (或 saline); 假设最终工作液的体积为 1 mL, 浓度为5 mg/mL: 取 100 μL 50 mg/mL 的澄清 DMSO 储备液加到 400 μL PEG300 中,混合均匀/澄清;向上述体系中加入50 μL Tween-80,混合均匀/澄清;然后继续加入450 μL ddH2O (或 saline)定容至 1 mL; 3、溶剂前显示的百分比是指该溶剂在最终溶液/工作液中的体积所占比例; 4、 如产品在配制过程中出现沉淀/析出,可通过加热(≤50℃)或超声的方式助溶; 5、为保证最佳实验结果,工作液请现配现用! 6、如不确定怎么将母液配置成体内动物实验的工作液,请查看说明书或联系我们; 7、 以上所有助溶剂都可在 Invivochem.cn网站购买。 |
制备储备液 | 1 mg | 5 mg | 10 mg | |
1 mM | 1.7803 mL | 8.9014 mL | 17.8028 mL | |
5 mM | 0.3561 mL | 1.7803 mL | 3.5606 mL | |
10 mM | 0.1780 mL | 0.8901 mL | 1.7803 mL |
1、根据实验需要选择合适的溶剂配制储备液 (母液):对于大多数产品,InvivoChem推荐用DMSO配置母液 (比如:5、10、20mM或者10、20、50 mg/mL浓度),个别水溶性高的产品可直接溶于水。产品在DMSO 、水或其他溶剂中的具体溶解度详见上”溶解度 (体外)”部分;
2、如果您找不到您想要的溶解度信息,或者很难将产品溶解在溶液中,请联系我们;
3、建议使用下列计算器进行相关计算(摩尔浓度计算器、稀释计算器、分子量计算器、重组计算器等);
4、母液配好之后,将其分装到常规用量,并储存在-20°C或-80°C,尽量减少反复冻融循环。
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)。如该浓度超过该批次药物DMSO溶解度,请首先与我们联系。
体内配方配制方法:取 μL DMSO母液,加入 μL PEG300,混匀澄清后加入μL Tween 80,混匀澄清后加入 μL ddH2O,混匀澄清。
(1) 请确保溶液澄清之后,再加入下一种溶剂 (助溶剂) 。可利用涡旋、超声或水浴加热等方法助溶;
(2) 一定要按顺序加入溶剂 (助溶剂) 。
Analytical data for SM-433: 1U NMR (MeOH-J4, 300 M Hz) δ 7.54-7.22 (m, 9H), 4.86 (m, IH), 4.48 (m, IH), 4.4-4.19 (m, 3H), 4.09-3.84 (m, 3H), 3.40 (m, IH), 2.71 (s, 3H), 2.49 (d, J= 6.6 Hz, 2H), 2.33-1.74 (m, 8H), 1.53 (2d, J= 6.9 Hz, 3H), 0.98 (m, 6H), 13C NMR (MeOH-J4, 300 M Hz) δ 174.7, 173.1, 169.3, 168.7, 141.9, 141.2, 135.6, 130.0, 129.2, 128.3, 128.1, 127.8, 127.3, 61.8, 57.3, 56.9, 53.2, 51.8, 46.7, 42.0, 41.5, 41.3, 35.0, 32.6, 31.2, 30.8, 27.3, 26.0, 22.2, 21.9, 15.2. td> |