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232271-19-1
  • names:

    N-(2,6-Dichlorobenzoyl)-4-(2,6-dimethoxyphenyl)-L-phenylalanine

  • CAS号:

    232271-19-1

    MDL Number:
  • MF(分子式): C24H21Cl2NO5 MW(分子量): 474.33
  • EINECS: Reaxys Number:
  • Pubchem ID: Brand:BIOFOUNT
TR-14035
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中文别名 N-(2,6-Dichlorobenzoyl)-4-(2,6-dimethoxyphenyl)-L-phenylalanine
英文别名 MDK-1191; MDK1191; MDK 1191; SB683698; SB 683698; SB-683698; QJ-2620; TR-14035; TR 14035; TR14035.
CAS号 232271-19-1
SMILES O=C(O)[C@H](CC1=CC=C(C2=C(OC)C=CC=C2OC)C=C1)NC(C3=C(Cl)C=CC=C3Cl)=O
Inchi InChI=1S/C24H21Cl2NO5/c1-31-19-7-4-8-20(32-2)21(19)15-11-9-14(10-12-15)13-18(24(29)30)27-23(28)22-16(25)5-3-6-17(22)26/h3-12,18H,13H2,1-2H3,(H,27,28)(H,29,30)/t18-/m0/s1
InchiKey DRSJLVGDSNWQBI-SFHVURJKSA-N
分子式 Formula C24H21Cl2NO5
分子量 Molecular Weight 474.33
闪点 FP
熔点 Melting point
沸点 Boiling point
Polarizability极化度
密度 Density
蒸汽压 Vapor Pressure
溶解度Solubility
性状 Solid powder
储藏条件 Storage conditions Dry, dark and store at 0-4℃ for short term (days to weeks) or -20℃ for long term (Store correctly 2-3years).
产品说明 TR-14035(CAS:232271-19-1):仅限应用于工业或者科学研究过程中非医疗目的,不应用于人类或动物的临床诊断以及治过程疗,该产品非药用,非食用。
IntroductionTR-14035, also known as MDK-1191, is a dual antagonist of α4β7 and α4β1 integrins.
Application1
Application2
Application3
警示图
危险性 Warning
危险性警示
安全声明
安全防护
备注
[1]Tsuda-Tsukimoto M, Maeda T, Iwanaga T, Kume T, Tamai I. Characterization of hepatobiliary transport systems of a novel alpha4beta1/alpha4beta7 dual antagonist, TR-14035. Pharm Res. 2006 Nov;23(11):2646-56. Epub 2006 Sep 13. PubMed PMID: 16969695.
[2]Cortijo J, Sanz MJ, Iranzo A, Montesinos JL, Nabah YN, Alfón J, Gómez LA, Merlos M, Morcillo EJ. A small molecule, orally active, alpha4beta1/alpha4beta7 dual antagonist reduces leukocyte infiltration and airway hyper-responsiveness in an experimental model of allergic asthma in Brown Norway rats. Br J Pharmacol. 2006 Mar;147(6):661-70. PubMed PMID: 16432509; PubMed Central PMCID: PMC1751336.
[3] Bayes M, Rabasseda X, Prous JR. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2005 Oct;27(8):569-612. PubMed PMID: 16273137.
[4] Tsuda-Tsukimoto M, Ogasawara Y, Kume T. Pharmacokinetics and metabolism of TR-14035, a novel antagonist of a4ss1/a4ss7 integrin mediated cell adhesion, in rat and dog. Xenobiotica. 2005 Apr;35(4):373-89. PubMed PMID: 16019958.
[5] Tsuda-Tsukimoto M, Ogasawara Y, Kume T. Role of human liver cytochrome P450 2C9 in the metabolism of a novel alpha4beta1/alpha4beta7 dual antagonist, TR-14035. Drug Metab Pharmacokinet. 2005 Apr;20(2):127-34. PubMed PMID: 15855725.
6: Macchiarulo A, Costantino G, Meniconi M, Pleban K, Ecker G, Bellocchi D, Pellicciari R. Insights into phenylalanine derivatives recognition of VLA-4 integrin: from a pharmacophoric study to 3D-QSAR and molecular docking analyses. J Chem Inf Comput Sci. 2004 Sep-Oct;44(5):1829-39. PubMed PMID: 15446843.7: Vanderslice P, Biediger RJ, Woodside DG, Berens KL, Holland GW, Dixon RA. Development of cell adhesion molecule antagonists as therapeutics for asthma and COPD. Pulm Pharmacol Ther. 2004;17(1):1-10. Review. PubMed PMID: 14643165.8: Egger LA, Cao J, McCallum C, Kidambi U, Van Riper G, McCauley E, Mumford RA, Lanza TJ, Lin LS, de Laszlo SE, Young DN, Yang G, Dean DC, Raab CE, Wallace MA, Jones AN, Hagmann WK, Schmidt JA, Pepinsky RB, Scott DM, Lee WC, Cornebise MA, Detmers PA. A small molecule alpha4beta1/alpha4beta7 antagonist differentiates between the low-affinity states of alpha4beta1 and alpha4beta7: characterization of divalent cation dependence. J Pharmacol Exp Ther. 2003 Sep;306(3):903-13. Epub 2003 May 23. PubMed PMID: 12766251.9: Egger LA, Kidambi U, Cao J, Van Riper G, McCauley E, Mumford RA, Amo S, Lingham R, Lanza T, Lin LS, De Laszlo SE, Young DN, Kopka IE, Tong S, Pikounis B, Benson E, Warwood S, Bargatze RF, Hagmann WK, Schmidt JA, Detmers PA. Alpha(4)beta(7)/alpha(4)beta(1) dual integrin antagonists block alpha(4)beta(7)-dependent adhesion under shear flow. J Pharmacol Exp Ther. 2002 Jul;302(1):153-62. Erratum in: J Pharmacol Exp Ther. 2003 May;305(2):796. PubMed PMID: 12065712.10: Sircar I, Gudmundsson KS, Martin R, Liang J, Nomura S, Jayakumar H, Teegarden BR, Nowlin DM, Cardarelli PM, Mah JR, Connell S, Griffith RC, Lazarides E. Synthesis and SAR of N-benzoyl-L-biphenylalanine derivatives: discovery of TR-14035, a dual alpha(4)beta(7)/alpha(4)beta(1) integrin antagonist. Bioorg Med Chem. 2002 Jun;10(6):2051-66. PubMed PMID: 11937364.
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