蟾蜍靈
bufalin
CAS: 465-21-4;68403-26-8
Molecular Formula: C24H34O4
蟾蜍靈 - Names and Identifiers
| Name | bufalin |
| Synonyms | BUFALIN bufalin 3,14-dihydroxybufa-20,22-dienolide 22-dienolide,3-beta,14-dihydroxy-5-beta-bufa-2 3-BETA-14-DIHYDROXY-5-BETA-BUFA-20,22-DIENOLIDE BUFA-20,22-DIENOLIDE, 3,14-DIHYDROXY-, (3B,5B)- (3BETA,5BETA)-3,14-DIHYDROXYBUFA-20,22-DIENOLIDE 22-dienolide,3,14-dihydroxy-,(3-beta,5-beta)-bufa-2 (3beta,5beta,8xi,9xi)-3,14-dihydroxybufa-20,22-dienolide |
| CAS | 465-21-4 68403-26-8 |
| InChI | InChI=1/C24H34O4/c1-22-10-7-17(25)13-16(22)4-5-20-19(22)8-11-23(2)18(9-12-24(20,23)27)15-3-6-21(26)28-14-15/h3,6,14,16-20,25,27H,4-5,7-13H2,1-2H3/t16-,17+,18-,19?,20?,22+,23-,24+/m1/s1 |
| InChIKey | QEEBRPGZBVVINN-ONGIWDLKSA-N |
蟾蜍靈 - Physico-chemical Properties
| Molecular Formula | C24H34O4 |
| Molar Mass | 386.52 |
| Density | 1.226±0.06 g/cm3(Predicted) |
| Melting Point | 242-243° |
| Boling Point | 556.6±50.0 °C(Predicted) |
| Specific Rotation(α) | D -20° |
| Flash Point | 189°C |
| Solubility | DMSO : 100 mg/mL (258.72 mM; Need ultrasonic) |
| Vapor Presure | 1.05E-14mmHg at 25°C |
| Appearance | Needle crystal |
| pKa | 15.01±0.70(Predicted) |
| Storage Condition | 2-8°C |
| Refractive Index | 1.593 |
| MDL | MFCD00056525 |
| Physical and Chemical Properties | Dried secretions derived from Bufo bufo gargiizans Cantor in the toad family of Bufo or black orbital Bufo melanoma Schneider. |
蟾蜍靈 - Risk and Safety
| Hazard Symbols | T+ - Very toxic |
| Risk Codes | 28 - Very Toxic if swallowed |
| Safety Description | S28 - After contact with skin, wash immediately with plenty of soap-suds. S36/37 - Wear suitable protective clothing and gloves. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) |
| UN IDs | UN 3462 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | EI2962500 |
| HS Code | 29322090 |
| Hazard Class | 6.1(a) |
| Packing Group | II |
蟾蜍靈 - Reference
| Reference Show more | 1. Ding Yan, Wang Xiaoling, Liu Hui, et al. Bufalin promotes apoptosis of human esophageal carcinoma cell line ECA109 [J]. Electronic Journal of esophageal surgery 2014(02):49-54. 2. Zhang Lingling, Han Jinwei, Wang Xiaolin et al. Mechanism of Bufalin inhibiting migration of esophageal cancer TE13 cells [J]. Chinese Journal of Cancer Prevention and Treatment, 2016, 23(13):837-843. 3. Chen Yanning, Liu Yao, Wang Xiaoling, etc. Effect of bufalingling on the expression of P70S6K in orthotopic transplantation tumor of esophageal squamous cell carcinoma in nude mice [J]. Chinese general practice, 2015(15):1763-1767. 4. Ding Yan, Wang Xiaoling, Deng Huiyan, Su Lihong, Zhang Pei, Liu Yueping. Effect of bufalin on proliferation and migration of human esophageal squamous cell carcinoma cells by inhibiting the activation of Raf/MEK/extracellular signal-regulated kinase signaling pathway [J]. Chinese Journal of General Practice, 2015,18(21):2535-2541. 5. Tian Zhihui, Zhang Pei, Cao Yankun, et al. Mechanism of bufalin inhibiting proliferation, migration and chemotaxis of esophageal cancer cells [J]. China Journal of Modern Medicine, 2015, 30 (20):50-54. 6. Zhang Mei Li Yu, Sangye Xiaoxue. Study on plasma Medicinal Chemistry of Liushen pills [J]. Green Science and Technology 2017 000(012):237-240. 7. Fang Yunge, Wang Pengfei, Zhu Houda, etc. Study on quality standard of venenum bufonis and decoction pieces (venenum bufonis powder) [J]. Chinese Journal of Traditional Chinese Medicine, 2020(8). 8. Cao Yueting, Cui, cocoa, Wu, Jiheng, et al. Study on the correlation of the components of the venom of Chinese big toad [J]. Chinese Journal of Traditional Chinese Medicine 2019(9). 9. Liu, Yao, et al. "Effects of bufalin on the mTOR/p70S6K pathway and apotosis in ecosageal squamous cell carcinoma in nude mice." International journal of molecular medicine 40.2 (2017): 357-366. https://doi.org/10.3892/ijmm.2017.3039 10. Liu, Yao, et al. "Effects of bufalin on the mTOR/p70S6K pathway and apoptosis in esophageal squamous cell carcinoma in nude mice." International journal of molecular medicine 40.2 (2017): 357-366. https://doi.org/10.3892/ijmm.2017.3039 11. Song, Tao, et al. "Bufalin, a bufanolide steroid from the parotoid glands of the Chinese toad, suppresses hERG K currents expressed in HEK 293 cells ." Fundamental & clinical pharmacology 31.6 (2017): 695-700.https://doi.org/10.1111/fcp.12306 12. Song, Tao, et al. "Bufalin, a bufanolide steroid from the parotoid glands of the Chinese toad, inhibits L‐type Ca2 channels and contractility in rat ventricular myocytes." Fundamental & clinical pharmacology 31.3 (2017): 340-346.https://doi.org/10.1111/fc 13. Xie, Jinlin, et al." Bufalin suppresses the proliferation and metastasis of renal cell carcinoma by inhibiting the PI3K/Akt/mTOR signaling pathway." Oncology letters 16.3 (2018): 3867-3873.https://doi.org/10.3892/ol.2018.9111 14. Haiyan Hu, Qi Qi, Ziyi Dong, Xianglong Yu, Yujia Mo, Juyuan Luo, Yan Wang, Shouying Du Yang Lu,Albumin coated trimethyl chitosan-based targeting delivery platform for photothermal/chemo-synergistic cancer therapy,Carbohydrate Polymers,Volume 241,2020, 15. [IF=6.284] Lan Yu-Long et al."The sodium pump α1 subunit regulates bufalin sensitivity of human glioblastoma cells through the p53 signaling pathway."Cell Biol Toxicol. 2019 Dec;35(6):521-539 16. [IF=4.101] Yao Liu et al."Effects of bufalin on the mTOR/p70S6K pathway and apoptosis in esophageal squamous cell carcinoma in nude mice."Int J Mol Med. 2017 Aug;40(2):357-366 17. [IF=3.743] Yu-Long Lan et al."Bufalin inhibits glioblastoma growth by promoting proteasomal degradation of the Na /K -ATPase α1 subunit."Biomed Pharmacother. 2018 Jul;103:204 18. [IF=2.748] Tao Song et al."Bufalin a bufanolide steroid from the parotoid glands of the Chinese toad, inhibits L-type Ca2 channels and contractility in rat ventricular myocytes."Fund Clin Pharmacol. 2017 Jun;31(3):340-346 19. [IF=2.748] Tao Song et al."Bufalin, a bufanolide steroid from the parotoid glands of the Chinese toad, suppresses hERG K currents expressed in HEK293 cells."Fund Clin Pharmacol. 2017 Dec;31(6):695-700 20. [IF=2.311] Jinlin Xie et al."Bufalin suppresses the proliferation and metastasis of renal cell carcinoma by inhibiting the PI3K/Akt/mTOR signaling pathway."Oncol Lett. 2018 Sep;16(3):3867-3873 21. [IF=2.193] Zhang Mei-Tuo et al."Strategic Combination of Isocratic and Gradient Elution for Simultaneous Separation of Polar Compounds in Traditional Chinese Medicines by HPLC."J Anal Methods Chem. 2018;2018:7569283 22. [IF=9.381] Haiyan Hu et al."Albumin coated trimethyl chitosan-based targeting delivery platform for photothermal/chemo-synergistic cancer therapy."Carbohyd Polym. 2020 Aug;241:116335 23. [IF=4.411] Yueting Cao et al."Chemical Profile and Multicomponent Quantitative Analysis for the Quality Evaluation of Toad Venom from Different Origins."Molecules. 2019 Jan;24(19):3595 24. [IF=4.379] Cao Yueting et al."The impact of multiple climatic and geographic factors on the chemical defences of Asian toads (Bufo gargarizans Cantor)."Sci Rep-Uk. 2019 Nov;9(1):1-11 25. [IF=3.565] Liqiang Qian et al."Anti-tumor Activity of Bufalin by Inhibiting c-MET Mediated MEK/ERK and PI3K/AKT Signaling Pathways in Gallbladder Cancer."J Cancer. 2020; 11(11): 3114-3123 26. [IF=1.902] Ke-ke Cui et al."Quantitative analysis of multicomponents by a single marker and quality evaluation of Venenum Bufonis from different geographical origins."Biomed Chromatogr. 2019 Sep;33(9):e4555 |
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蟾蜍靈
2,3-diamino-5-bromobenzoic acid
1-乙基-2-(4-哌啶基氧基)-1H-苯并咪唑盐酸盐
Benzenamine, N-[[bis(phenylmethyl)phosphinyl]methyl]-
(1S,5S,6R)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
Gynuramide II
2,4-DINITRO-6-(1-METHYLHEPTYL)PHENOL
对氨基苯酚硫酸盐
西他列汀-BOC丁酸 BOC-(R)-3-氨基-4-(2,4,5-三氟苯基)丁酸
牡丹酚原甙(标准品)
2,3-diamino-5-bromobenzoic acid
1-乙基-2-(4-哌啶基氧基)-1H-苯并咪唑盐酸盐
Benzenamine, N-[[bis(phenylmethyl)phosphinyl]methyl]-
(1S,5S,6R)-6-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
Gynuramide II
2,4-DINITRO-6-(1-METHYLHEPTYL)PHENOL
对氨基苯酚硫酸盐
西他列汀-BOC丁酸 BOC-(R)-3-氨基-4-(2,4,5-三氟苯基)丁酸
牡丹酚原甙(标准品)