其它产品项目整合

项目整合的本质是一项集合成方法学、反应工程学与过程分析技术于一体的系统工程。其核心逻辑可以概括为以下几点：源头优选：利用如N-硝胺化学等底层方法学突破，从分子层面颠覆传统高成本、高污染路线。过程强化：依托连续流技术，攻克有机金属试剂应用、光化学反应放大等“不可能”任务，实现高危工艺的本质安全。系统集成：整合“反应-淬灭-分离”全流程，利用微流控与在线分析技术，消除批次间的差异，实现药品制造的连续化与智能化。当前，中间体工艺研发正在经历从“经验驱动”向“数据驱动”的转变。AI辅助路线设计、自动化高通量筛选与连续制造平台的结合，将使得“分子结构与最优工艺路径”之间的映射关系逐渐清晰。未来的竞争优势，将属于那些能够将底层化学创新与先进工程技术进行无缝整合的研发体系。
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其它产品项目整合

Darifenacin CAS Registry Number: 133099-04-4 达非那新

CAS Name: (3S)-1-[2-(2,3-Dihydro-5-benzofuranyl)ethyl]-a,a-diphenyl-3-pyrrolidineacetamide
Additional Names: 3-(S)-(-)-(1-carbamoyl-1,1-diphenylmethyl)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]py...
Literature References: Selective muscarinic M3-receptor antagonist. Prepn: P. E. Cross, A. R. MacKenzie, EP 388054; eidem, US 5096890 (1990, 1992 both to Pfizer). HPLC/MS determn in plasma: B. Kaye et al., Anal. Chem. 68, 1658 (1996). Binding profile for receptor subtypes: C. M. Smith, R. W. Wallis, J. Recept. Signal Transduction Res. 17, 177 (1997); and pharmacology: R. M. Wallis, C. M. Napier, Life Sci. 64, 395 (1999). Pharmacokinetics and metabolism: K. C. Beaumont et al., Xenobiotica 28, 63 (1998). Clinical trial in overactive bladder: F. Haab et al., Eur. Urol. 45, 420 (2004). Review of clinical experience: C. R. Chapple, Expert Opin. Invest. Drugs 13, 1493-1500 (2004).

Aprepitant CAS Registry Number: 170729-80-3 阿瑞吡坦

CAS Name: 5-[[(2R,3S)-2-[(1R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)-4-morpholinyl]methyl]-1,2-dihydro-3H-1,2,4-triazol-3-one
Additional Names: (2R)-[(1R)-3,5-bis(trifluor...
Literature References: Selective neurokinin-1 (NK-1) receptor antagonist. Prepn: C. P. Dorn et al., WO 9516679; eidem, US 5719147 (1995, 1998 both to Merck Co.); and pharmacology: J. J. Hale et al., J. Med. Chem. 41, 4607 (1998). Improved synthesis: K. M. J. Brands et al., J. Am. Chem. Soc. 125, 2129 (2003). LC/MS/MS determn in plasma: C. M. Chavez-Eng et al., J. Pharm. Biomed. Anal. 35, 1213 (2004). Clinical trial in prevention of cisplatin-induced emesis: S. Van Belle et al., Cancer 94, 3032 (2002); with granisetron and/or dexamethasone: D. Campos et al., J. Clin. Oncol. 19, 1759 (2001). Clinical pharmacokinetics: A. K. Majumdar et al., J. Clin. Pharmacol. 46, 291 (2006). Review of clinical experience in prevention of chemotherapy-induced nausea and vomiting (CINV): T. M. Dando, C. M. Perry, Drugs 64, 777-794 (2004); A. M. Massaro, K. L. Lenz, Ann. Pharmacother. 39, 77-85 (2005).

Reboxetine CAS Registry Number: 98769-81-4 瑞波西汀

CAS Name: (2R)-rel-2-[(R)-(2-Ethoxyphenoxy)phenylmethyl]morpholine
Additional Names: (±)-(2R*)-2-[(aR*)-a-(o-ethoxyphenoxy)benzyl]morpholine
Percent Composition: C 72.82%, H 7.40%, N 4....
Literature References: Selective noradrenaline reuptake inhibitor. Prepn: P. Melloni et al., DE 2901032; eidem, US 4229449 (1979, 1980 both to Farmitalia Carlo Erba); eidem et al., Eur. J. Med. Chem. - Chim. Ther. 19, 235 (1984). Configuration: P. Melloni et al., Tetrahedron 41, 1393 (1985). HPLC determn of enantiomers in plasma: E. Frigerio et al., J. Chromatogr. A 660, 351 (1994). Metabolism: G. Cocchiara et al., Eur. J. Drug Metab. Pharmacokinet. 16, 231 (1991). Stereoselective kinetics: M. S. Benedetti et al., Chirality 7, 285 (1995). Clinical pharmacokinetics: C. Pellizzoni et al., Biopharm. Drug Dispos. 17, 623 (1996). Clinical trial in depression and social phobia: S. A. Montgomery, J. Psychopharmacol. 11, Suppl., S9 (1997); A. Dubini et al., ibid. S17.

Roflumilast CAS Registry Number: 162401-32-3 罗氟司特

CAS Name: 3-(Cyclopropylmethoxy)-N-(3,5-dichloro-4-pyridinyl)-4-(difluoromethoxy)benzamideTrademarks: Daxas (Altana)
Percent Composition: C 50.64%, H 3.50%, Cl 17.59%, F 9.42%, N 6.95%, O 11.90...
Literature References: Selective phosphodiesterase 4 (PDE4) inhibitor. Prepn: D. Flockerzi et al., WO 9501338; H. Amschler, US 5712298 (1995, 1998 both to Byk-Gulden). Pharmacology: A. Hatzelmann, C. Schudt, J. Pharmacol. Exp. Ther. 297, 267 (2001); D. S. Bundschuh et al., ibid. 280. Clinical evaluation in allergic rhinitis: B. M. W. Schmidt et al., J. Allergy Clin. Immunol. 108, 530 (2001); in exercise-induced asthma: W. Timmer et al., J. Clin. Pharmacol. 42, 297 (2002); in COPD: K. F. Rabe et al., Lancet 366, 563 (2005). Comparative review with cilomilast: M. A. Giembycz, Monaldi Arch. Chest Dis. 57, 48-64 (2002).

Cilomilast CAS Registry Number: 153259-65-5 西洛司特

CAS Name: cis-4-Cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]cyclohexanecarboxylic acidTrademarks: Ariflo (GSK)
Percent Composition: C 69.95%, H 7.34%, N 4.08%, O 18.64%
Literature References: Selective phosphodiesterase 4 (PDE4) inhibitor. Prepn: S. B. Christensen, WO 9319749; idem, US 5552438 (1993, 1996 both to SmithKline Beecham); idem et al., J. Med. Chem. 41, 821 (1998). Anti-inflammatory activity: M. S. Barnette et al., J. Pharmacol. Exp. Ther. 284, 420 (1998); D. E. Griswold et al., ibid. 705. Pharmacology and therapeutic potential in asthma and chronic obstructive pulmonary disease (COPD): T. J. Torphy et al., Pulm. Pharmacol. Ther. 12, 131-135 (1999). Clinical pharmacokinetics and bioavailability: B. D. Zussman et al., Pharmacotherapy 21, 653 (2001). Clinical trial in COPD: C. H. Compton et al., Lancet 358, 265 (2001). Review of pharmacology and clinical experience: M. A. Giembycz, Expert Opin. Invest. Drugs 10, 1361-1379 (2001).

Enoximone CAS Registry Number: 77671-31-9 依诺昔酮

CAS Name: 1,3-Dihydro-4-methyl-5-[4-(methylthio)benzoyl]-2H-imidazol-2-one
Additional Names: 4-methyl-5-[p-(methylthio)benzoyl]-4-imidazolin-2-one; fenoximoneTrademarks: Perfane (HMR); Perfan (...
Literature References: Selective phosphodiesterase inhibitor with vasodilating and positive inotropic activity. Prepn: BE 883856 (1980 to Richardson-Merrell); R. A. Schnettler et al., US 4405635 (1983 to Merrell-Dow); eidem, J. Med. Chem. 25, 1477 (1982). Cardiovascular pharmacology in animals: R. C. Dage et al., J. Cardiovasc. Pharmacol. 4, 500 (1982); L. E. Roebel et al., ibid. 721. In vitro mechanism of action studies: T. Kariya et al., ibid. 509; H. S. Ahn et al., Biochem. Pharmacol. 35, 1113 (1986). Acute hemodynamic effects in congestive heart failure: B. F. Uretsky et al., Circulation 67, 823 (1983). HPLC determn in plasma: K. Y. Chan et al., J. Chromatogr. 272, 396 (1983). Pharmacokinetics in humans: R. G. Alken et al., Clin. Pharmacol. Ther. 36, 209 (1984). Symposium on pharmacology and clinical efficacy in congestive heart failure: Am. J. Cardiol. 60, 1C-90C (1987).

Flumioxazin CAS Registry Number: 103361-09-7 丙炔氟草胺

CAS Name: 2-[7-Fluoro-3,4-dihydro-3-oxo-4-(2-propynyl)-2H-1,4-benzoxazin-6-yl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione
Additional Names: N-(7-fluoro-3,4-dihydro-3-oxo-4-prop-2-ynyl-2H-1,4...
Literature References: Selective postemergence herbicide that inhibits protoporphyrinogen oxidase. Prepn: E. Nagano et al., EP 170191; eidem, US 4640707 (1986, 1987 both to Sumitomo). Field study in peanut: S. D. Askew et al., Weed Technol. 13, 594 (1999). Metabolism in rat: Y. Tomigahara et al., J. Agric. Food Chem. 47, 305, 2429 (1999). Review of physical properties, mode of action, and field trials: R. Yoshida et al., Brighton Crop Prot. Conf. - Weeds 1991, 69-75.

Fluazifop-butyl CAS Registry Number: 69806-50-4 吡氟禾草隆

CAS Name: 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid butyl ester
Additional Names: butyl 2-[4-(5-trifluoromethyl-2-pyridyloxy)phenoxy]propionateTrademarks: Fusilade (Syng...
Literature References: Selective post-emergence herbicide. Prepn: R. Nishiyama et al., DE 2812571 (1979 to Ishihara Sangyo Kaisha), C.A. 90, 152017g (1979). Activity: R. E. Plowman et al., Proc. Br. Crop Prot. Conf. - Weeds 1980, 29; J. R. Finney, P. B. Sutton, ibid. 429.

Fenoxaprop-ethyl CAS Registry Number: 66441-23-4 恶唑禾草灵

CAS Name: 2-[4-[(6-Chloro-2-benzoxazolyl)oxy]phenoxy]propanoic acid ethyl esterPercent Composition: C 59.76%, H 4.46%, Cl 9.80%, N 3.87%, O 22.11%
Literature References: Selective postemergent herbicide to control grassy weeds in broadleaved crops and established turfgrass. Prepn: BE 858618; R. Handte et al., US 4130413 (both 1978 to Hoechst). Metabolism in soybeans: O. Wink et al., J. Agric. Food Chem. 32, 187 (1984). Persistence in soil: A. E. Smith, ibid. 33, 483 (1985). Field trials in agricultural crops: G. W. Kerse et al., Proc. 36th N. Z. Weed Pest Control Conf. 265 (1983); in turfgrass: P. H. Dernoeden, J. D. Fry, Proc. Annu. Meet. Northeast. Weed Sci. Soc. 39, 282 (1985). Brief description: J. Bieringer et al., Proc. Br. Crop Prot. Conf. - Weeds 1982, 11-17.

Oxyfluorfen CAS Registry Number: 42874-03-3 乙氧氟草醚

CAS Name: 2-Chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene
Additional Names: 2-chloro-a,a,a-trifluoro-p-tolyl-3-ethoxy-4-nitrophenyl etherTrademarks: Delta Goal (Dow AgroSci.); G...
Literature References: Selective pre- and post-emergence herbicide. Prepn: NL 7303590; H. O. Bayer et al., US 3798276 (1973, 1974 both to Rohm Haas). Activity: R. Y. Yih, C. Swithenbank, J. Agric. Food Chem. 23, 592 (1975). Metabolism: I. L. Adler et al., ibid. 25, 1339 (1977).