(5R,5aR,8aR,9S)-9-(((2R,4aR,6R,7R,8R,8aS)-7,8-DihydrOxy-2-(Thiophen-2-yl)Hexahydropyrano[3,2-d][1,3]Dioxin-6-yl)Oxy)-5-(4-hydrOxy-3,5-dimethOxyphenyl)-5,5a,8a,9-Tetrahydrofuro[3,4:6,7]Naphtho[2,3-d][1,3]Dioxol-6(8H)-One (5R,5aR,8aR,9S)-9-(((2R,4aR,6R,7R,8R,8aS)-7,8-二羟基-2-(噻吩-2-基)六氢吡喃并[3,2-d][1,3]二氧杂环己烯-6-基)氧基)-5-(4-羟基-3,5-二甲氧基苯基)-5,5a,8a,9-四氢呋喃并[3’,4’:6,7]萘并[2,3-d][1,3]二氧杂环戊烯-6(8H)-酮
CAS 29767-20-2 MFCD00866516
化学结构图
SMILES: COC1=CC(=CC(OC)=C1O)[C@H]1[C@@H]2[C@H](COC2=O)[C@H](O[C@@H]2O[C@@H]3CO[C@H](O[C@H]3[C@H](O)[C@H]2O)C2=CC=CS2)C2C=C3OCOC3=CC=21
化学属性
| Mol. Formula | C32H32O13S |
|---|---|
| Mol. Weight | 657 |
| Density | 1.422 |
别名和识别编码
| Chemical Name | (5R,5aR,8aR,9S)-9-(((2R,4aR,6R,7R,8R,8aS)-7,8-DihydrOxy-2-(Thiophen-2-yl)Hexahydropyrano[3,2-d][1,3]Dioxin-6-yl)Oxy)-5-(4-hydrOxy-3,5-dimethOxyphenyl)-5,5a,8a,9-Tetrahydrofuro[3,4:6,7]Naphtho[2,3-d][1,3]Dioxol-6(8H)-One |
|---|---|
| CAS Number | 29767-20-2 |
| Synonym | ######## 4'-Demethylepipodophyllotoxin 4'-Dimethyl-9-(4,6-O-2-thenyid)-epipodophyllotoxin Tenoposide VM-26 |
| EC Number | 249-831-2 |
| Beilstein Registry Number | 2384789 |
| Chemical Name Translation | (5R,5aR,8aR,9S)-9-(((2R,4aR,6R,7R,8R,8aS)-7,8-二羟基-2-(噻吩-2-基)六氢吡喃并[3,2-d][1,3]二氧杂环己烯-6-基)氧基)-5-(4-羟基-3,5-二甲氧基苯基)-5,5a,8a,9-四氢呋喃并[3’,4’:6,7]萘并[2,3-d][1,3]二氧杂环戊烯-6(8H)-酮 |
| LabNetwork Molecule ID | LN01327320 |
| MDL Number | MFCD00866516 |
| Reaxys-RN | 7108452 |
| Merck Number | 9145 |
| PubChem Substance ID | 253662241 |
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分类
- {SNA} Apoptosis and Cell Cycle, Bioactive Small Molecule Alphabetical Index, DNA Repair Regulators, DNA metabolism, T, 生物活性小分子, 细胞信号转导和神经科学, 细胞生物学
- Carbohydrates & Derivatives
- Chiral Reagents
- Heterocycles
- Pharmaceuticals
- Intermediates & Fine Chemicals
产品应用
- A semi-synthetic derivative of Podophyllotoxin. Antineoplastic.
相关文献及参考
- Stahlen, H., Eur. J. Cancer, 6, 303 (1970),
- Hacker, M., et al.: Cancer Res., 37, 3287 (1977),
- Clark, P.I., et al.: Clin. Pharmacokinet., 12, 223 (1987),
安全信息
GHS Symbol
- R36/37/38 Irritating to eyes, respiratory system and skin 对眼睛、呼吸系统和皮肤有刺激性
- P201 Obtain special instructions before use. 使用前获取专门指示。
- P202 Do not handle until all safety precautions have been read and understood. 已阅读并理解所有的安全预防措施之前，切勿操作。
- P260 Do not breathe dust/fume/gas/mist/vapours/spray. 不要吸入粉尘/烟/气体/烟雾/蒸汽/喷雾。
- P264 Wash hands thoroughly after handling. 处理后要彻底洗净双手。
- P270 Do not eat, drink or smoke when using this product. 使用本产品时不要吃东西，喝水或吸烟。
- P280 Wear protective gloves/protective clothing/eye protection/face protection. 戴防护手套/防护服/眼睛的保护物/面部保护物。
- P308+P311
- P405 Store locked up. 上锁保管。
- P501 Dispose of contents/container to..… 处理内容物/容器.....
TYPE OF TEST : LDLo - Lowest published lethal dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 15 mg/kg TOXIC EFFECTS : Lungs, Thorax, or Respiration - dyspnea Gastrointestinal - hypermotility, diarrhea Blood - leukopenia REFERENCE : PESTD5 Proceedings of the European Society of Toxicology. (Amsterdam, Netherlands) V.16-18, 1975-77. Discontinued. Volume(issue)/page/year: 17,171,1976
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Human DOSE/DURATION : 132 mg/kg/7W-I TOXIC EFFECTS : Gastrointestinal - nausea or vomiting Blood - leukopenia REFERENCE : CTRRDO Cancer Treatment Reports. (Washington, DC) V.60-71, 1976-87. For publisher information, see JNCIEQ. Volume(issue)/page/year: 63,7,1979
TYPE OF TEST : LD17 - Lethal Dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - rat DOSE/DURATION : 50 mg/kg TOXIC EFFECTS : Tumorigenic - active as anti-cancer agent REFERENCE : CTRRDO Cancer Treatment Reports. (Washington, DC) V.60-71, 1976-87. For publisher information, see JNCIEQ. Volume(issue)/page/year: 60,1127,1976
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intravenous SPECIES OBSERVED : Human DOSE/DURATION : 26 mg
TYPE OF TEST : LD50 - Lethal dose, 50 percent kill ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE/DURATION : 29570 ug/kg TOXIC EFFECTS : Details of toxic effects not reported other than lethal dose value REFERENCE : NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986
TYPE OF TEST : DNA inhibition TEST SYSTEM : Human Lymphocyte DOSE/DURATION : 1 umol/L REFERENCE : CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 35,99,1975
TYPE OF TEST : DNA damage TEST SYSTEM : Human Cells - not otherwise specified DOSE/DURATION : 10 nmol/L/1H REFERENCE : CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 46,3809,1986
TYPE OF TEST : DNA damage TEST SYST
TYPE OF TEST : Mutation in microorganisms TEST SYSTEM : Bacteria
TYPE OF TEST : Mutation test systems - not otherwise specified TEST SYSTEM : Human Lymphocyte DOSE/DURATION : 5 mg/L REFERENCE : CYTOAN Cytologia. (Japan Pub. Trading Co. (USA), 1255 Howard St., San Francisco, CA 94103) V.1- 1929- Volume(issue)/page/year: 52,161,1987
TYPE OF TEST : Micronucleus test ROUTE OF EXPOSURE : Intraperitoneal TEST SYSTEM : Rodent - mouse DOSE/DURATION : 500 ug/kg REFERENCE : JTSCDR Journal of Toxicological Sciences. (Japanese Soc. of Toxicological Sciences, 4th Floor, Gakkai Center Bldg., 4-16, Yayoi 2-chome, Bunkyo-ku, Tokyo 113, Japan) V.1- 1976- Volume(issue)/page/year: 11(Suppl 1),301,1986
TYPE OF TEST : DNA damage TEST SYSTEM : Rodent - mouse Leukocyte DOSE/DURATION : 50 ug/kg REFERENCE : CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 40,4225,1980
TYPE OF TEST : DNA inhibition TEST SYSTEM : Rodent -
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mous
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE : 1 mg/kg SEX/DURATION : female 8 day(s) after conception TOXIC EFFECTS : Reproductive - Effects on Embryo or Fetus - cytological changes (including somatic cell genetic material) REFERENCE : TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 18,31,1978
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE : 1 mg/kg SEX/DURATION : female 6 day(s) after conception TOXIC EFFECTS : Reproductive - Maternal Effects - oogenesis REFERENCE : TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 18,31,1978
TYPE OF TEST : TDLo - Lowest published toxic dose ROUTE OF EXPOSURE : Intraperitoneal SPECIES OBSERVED : Rodent - mouse DOSE : 1 mg/kg SEX/DURATION : female 7 day(s) after conception TOXIC EFFECTS : Reproductive - Specific Developmental Abnormalities - Central Nervous System Reproductive - Specific Developmental Abnormalities - cardiovascular (circulatory) system Reproductive - Specific Developmental Abnormalities - respiratory system REFERENCE : TJADAB Teratology, The International Journal of Abnormal Development. (Alan R. Liss, Inc., 41 E. 11th St., New York, NY 10003) V.1- 1968- Volume(issue)/page/year: 18,31,1978
- H341 Suspected of causing genetic defects 怀疑导致遗传性缺陷
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