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MedKoo Cat#: 581041 | Name: TR-14035
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

TR-14035, also known as MDK-1191, is a dual antagonist of α4β7 and α4β1 integrins.

Chemical Structure

TR-14035
TR-14035
CAS#232271-19-1

Theoretical Analysis

MedKoo Cat#: 581041

Name: TR-14035

CAS#: 232271-19-1

Chemical Formula: C24H21Cl2NO5

Exact Mass: 473.0797

Molecular Weight: 474.33

Elemental Analysis: C, 60.77; H, 4.46; Cl, 14.95; N, 2.95; O, 16.86

Price and Availability

Size Price Availability Quantity
10mg USD 600.00
50mg USD 1,450.00
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Related CAS #
No Data
Synonym
MDK-1191; MDK1191; MDK 1191; SB683698; SB 683698; SB-683698; QJ-2620; TR-14035; TR 14035; TR14035.
IUPAC/Chemical Name
N-(2,6-Dichlorobenzoyl)-4-(2,6-dimethoxyphenyl)-L-phenylalanine
InChi Key
DRSJLVGDSNWQBI-SFHVURJKSA-N
InChi Code
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
SMILES Code
O=C(O)[C@H](CC1=CC=C(C2=C(OC)C=CC=C2OC)C=C1)NC(C3=C(Cl)C=CC=C3Cl)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 474.33 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
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.