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MedKoo Cat#: 530131 | Name: Fidexaban

Description:

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

Fidexaban is a coagulation factor and Xa inhibitor potentially for the treatment of angina pectoris.

Chemical Structure

Fidexaban
Fidexaban
CAS#183305-24-0

Theoretical Analysis

MedKoo Cat#: 530131

Name: Fidexaban

CAS#: 183305-24-0

Chemical Formula: C25H24F2N6O5

Exact Mass: 526.1800

Molecular Weight: 526.50

Elemental Analysis: C, 57.03; H, 4.59; F, 7.22; N, 15.96; O, 15.19

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
No Data
Synonym
BX-807834; CI-1031; PD-200022; ZK-807834; BX807834; CI1031; PD200022; ZK807834; BX 807834; CI 1031; PD 200022; ZK 807834
IUPAC/Chemical Name
Glycine, N-(2-(5-(aminoiminomethyl)-2-hydroxyphenoxy)-6-(3-(4,5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy)-3,5-difluoro-4-pyridinyl)-N-methyl-
InChi Key
NPNSVNGQJGRSNR-UHFFFAOYSA-N
InChi Code
InChI=1S/C25H24F2N6O5/c1-32-9-8-30-23(32)14-4-3-5-15(10-14)37-24-19(26)21(33(2)12-18(35)36)20(27)25(31-24)38-17-11-13(22(28)29)6-7-16(17)34/h3-7,10-11,34H,8-9,12H2,1-2H3,(H3,28,29)(H,35,36)
SMILES Code
O=C(O)CN(C1=C(F)C(OC2=CC(C(N)=N)=CC=C2O)=NC(OC3=CC=CC(C4=NCCN4C)=C3)=C1F)C
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 526.50 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: Remko M, Remková A, Broer R. Theoretical Study of Molecular Structure and Physicochemical Properties of Novel Factor Xa Inhibitors and Dual Factor Xa and Factor IIa Inhibitors. Molecules. 2016 Feb 4;21(2). pii: E185. doi: 10.3390/molecules21020185. PubMed PMID: 26861270. 2: Doggrell SA. Is there evidence to support the use of direct Factor Xa inhibitors in coronary artery disease? Rev Recent Clin Trials. 2011 May;6(2):147-57. Review. PubMed PMID: 21241235. 3: Zafar MU, Farkouh ME, Osende J, Shimbo D, Palencia S, Crook J, Leadley R, Fuster V, Chesebro JH. Potent arterial antithrombotic effect of direct factor-Xa inhibition with ZK-807834 administered to coronary artery disease patients. Thromb Haemost. 2007 Mar;97(3):487-92. PubMed PMID: 17334518. 4: Karnicki K, McBane RD 2nd, Miller RS, Leadley RJ Jr, Morser J, Owen WG, Chesebro JH. Inhibition and reversal of platelet-rich arterial thrombus in vivo: direct vs. indirect factor Xa inhibition. J Thromb Haemost. 2004 Dec;2(12):2162-9. PubMed PMID: 15613022. 5: Abendschein DR, Baum PK, Light DR, Morser J. Effect of vascular injury on inhibition of venous thrombosis with ZK-807834, a direct inhibitor of factor Xa. J Thromb Haemost. 2003 Sep;1(9):1955-8. PubMed PMID: 12941036. 6: McClanahan TB, Hicks GW, Morrison AL, Peng YW, Janiczek-Dolphin N, Mertz TE, Sullivan ME, Morser J, Juneau PL, Leadley R. The antithrombotic effects of CI-1031 (ZK-807834) and enoxaparin in a canine electrolytic injury model of arterial and venous thrombosis. Eur J Pharmacol. 2001 Dec 7;432(2-3):187-94. PubMed PMID: 11740955. 7: Sinha U. ZK-807834. Berlex. Curr Opin Investig Drugs. 2002 Dec;3(12):1736-41. Review. PubMed PMID: 12528309. 8: Light DR, Guilford WJ. Discovery of the factor Xa inhibitor, ZK 807834 (CI-1031). Curr Top Med Chem. 2001 Jun;1(2):121-36. Review. PubMed PMID: 11899248. 9: Abendschein DR, Baum PK, Verhallen P, Eisenberg PR, Sullivan ME, Light DR. A novel synthetic inhibitor of factor Xa decreases early reocclusion and improves 24-h patency after coronary fibrinolysis in dogs. J Pharmacol Exp Ther. 2001 Feb;296(2):567-72. PubMed PMID: 11160645. 10: Post JM, Sullivan ME, Abendschein D, Ewing J, Hinchman JW, Light DR. Human in vitro pharmacodynamic profile of the selective Factor Xa inhibitor ZK-807834 (CI-1031). Thromb Res. 2002 Feb 15;105(4):347-52. PubMed PMID: 12031830. 11: Chi L, Pen YW, Potoczak R, Gibson G, Hicks G, Mertz TE, Janiczek N, Juneau PL, Gallagher K, Leadley R. Assessment of ex vivo pharmacodynamic markers during inhibition of thrombosis by CI-1031 (ZK-807834), a novel direct factor Xa inhibitor. Pharmacology. 2002 Feb;64(2):76-83. PubMed PMID: 11803247. 12: Egnash LA, Ramanathan R. Comparison of heterogeneous and homogeneous radioactivity flow detectors for simultaneous profiling and LC-MS/MS characterization of metabolites. J Pharm Biomed Anal. 2002 Jan 1;27(1-2):271-84. PubMed PMID: 11682235. 13: McLean K, Schirm S, Johns A, Morser J, Light DR. FXa-induced responses in vascular wall cells are PAR-mediated and inhibited by ZK-807834. Thromb Res. 2001 Aug 15;103(4):281-97. PubMed PMID: 11562339. 14: Abendschein DR, Baum PK, Martin DJ, Vergona R, Post J, Rumennik G, Sullivan ME, Eisenberg PR, Light DR. Effects of ZK-807834, a novel inhibitor of factor Xa, on arterial and venous thrombosis in rabbits. J Cardiovasc Pharmacol. 2000 May;35(5):796-805. PubMed PMID: 10813384. 15: Adler M, Davey DD, Phillips GB, Kim SH, Jancarik J, Rumennik G, Light DR, Whitlow M. Preparation, characterization, and the crystal structure of the inhibitor ZK-807834 (CI-1031) complexed with factor Xa. Biochemistry. 2000 Oct 17;39(41):12534-42. PubMed PMID: 11027132. 16: Arnaiz DO, Zhao Z, Liang A, Trinh L, Witlow M, Koovakkat SK, Shaw KJ. Design, synthesis, and in vitro biological activity of indole-based factor Xa inhibitors. Bioorg Med Chem Lett. 2000 May 1;10(9):957-61. PubMed PMID: 10853668. 17: Phillips GB, Buckman BO, Davey DD, Eagen KA, Guilford WJ, Hinchman J, Ho E, Koovakkat S, Liang A, Light DR, Mohan R, Ng HP, Post JM, Shaw KJ, Smith D, Subramanyam B, Sullivan ME, Trinh L, Vergona R, Walters J, White K, Whitlow M, Wu S, Xu W, Morrissey MM. Discovery of N-[2-[5-[Amino(imino)methyl]-2-hydroxyphenoxy]-3, 5-difluoro-6-[3-(4, 5-dihydro-1-methyl-1H-imidazol-2-yl)phenoxy]pyridin-4-yl]-N-methylgl y cine (ZK-807834): a potent, selective, and orally active inhibitor of the blood coagulation enzyme factor Xa. J Med Chem. 1998 Sep 10;41(19):3557-62. PubMed PMID: 9733480.

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