MK-0686

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

MedKoo CAT#: 525669

CAS#: 578727-68-1

Description: MK-0686 is a bradykinin B1 receptor antagonist. It exhibits suitable pharmacokinetic properties and efficient ex vivo receptor occupancy for further development as a novel approach for the treatment of pain and inflammation.

Chemical Structure

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MK-0686
CAS# 578727-68-1
Instruction

Theoretical Analysis

MedKoo Cat#: 525669
Name: MK-0686
CAS#: 578727-68-1
Chemical Formula: C22H19ClF4N2O4
Exact Mass: 486.10
Molecular Weight: 486.848
Elemental Analysis: C, 54.28; H, 3.93; Cl, 7.28; F, 15.61; N, 5.75; O, 13.14

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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Synonym: MK0686; MK 0686; MK-0686

IUPAC/Chemical Name: methyl (R)-3-chloro-3'-fluoro-4'-(1-(1-(2,2,2-trifluoroacetamido)cyclopropane-1-carboxamido)ethyl)-[1,1'-biphenyl]-2-carboxylate

InChi Key: WZZIQHIQMWJNLU-LLVKDONJSA-N

InChi Code: InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1

SMILES Code: O=C(C1=C(Cl)C=CC=C1C2=CC=C([C@H](NC(C3(NC(C(F)(F)F)=O)CC3)=O)C)C(F)=C2)OC

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, not in water

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:

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 486.85 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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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1: Tang C, Carr BA, Poignant F, Ma B, Polsky-Fisher SL, Kuo Y, Strong-Basalyga K, Norcross A, Richards K, Eisenhandler R, Carlini EJ, Di Marco CN, Kuduk SD, Yu NX, Raab CE, Rushmore T, Frederick CB, Bock MG, Prueksaritanont T. CYP2C75-involved autoinduction of metabolism in rhesus monkeys of methyl 3-chloro-3'-fluoro-4'-{(1R)-1-[({1-[(trifluoroacetyl)amino]cyclopropyl}carbonyl)a mino]ethyl}-1,1'-biphenyl-2-carboxylate (MK-0686), a bradykinin B1 receptor antagonist. J Pharmacol Exp Ther. 2008 Jun;325(3):935-46. doi: 10.1124/jpet.107.136044. Epub 2008 Feb 29. PubMed PMID: 18310472.
2: Kuduk SD, Di Marco CN, Chang RK, Wood MR, Schirripa KM, Kim JJ, Wai JM, DiPardo RM, Murphy KL, Ransom RW, Harrell CM, Reiss DR, Holahan MA, Cook J, Hess JF, Sain N, Urban MO, Tang C, Prueksaritanont T, Pettibone DJ, Bock MG. Development of orally bioavailable and CNS penetrant biphenylaminocyclopropane carboxamide bradykinin B1 receptor antagonists. J Med Chem. 2007 Jan 25;50(2):272-82. PubMed PMID: 17228869.