MK-0668 Mesylate

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MedKoo CAT#: 525667

CAS#: 865111-04-2 (mesylate)

Description: MK-0668 is an extremely potent and orally active antagonist of very late antigen-4 with picomolar, whole blood activity and slow dissociation rates were discovered by incorporating an amino substituent on the proline fragment of the initial lead structure. This level of potency against the unactivated form of VLA-4 was shown to be sufficient to overcome the poor pharmacokinetic profiles typical of this class of VLA-4 antagonists, and sustained activity as measured by receptor occupancy was achieved in preclinical species after oral dosing.

Chemical Structure

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MK-0668 Mesylate
CAS# 865111-04-2 (mesylate)
Instruction

Theoretical Analysis

MedKoo Cat#: 525667
Name: MK-0668 Mesylate
CAS#: 865111-04-2 (mesylate)
Chemical Formula: C32H34Cl2N6O9S2
Exact Mass: 780.12
Molecular Weight: 781.677
Elemental Analysis: C, 49.17; H, 4.38; Cl, 9.07; N, 10.75; O, 18.42; S, 8.20

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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Related CAS #: 865110-07-2 (free base)   865111-04-2 (mesylate)    

Synonym: MK0668; MK 0668; MK-0668; MK-0668 Mesylate;

IUPAC/Chemical Name: (S)-2-((2S,4R)-1-((3-cyanophenyl)sulfonyl)-4-(cyclobutylamino)pyrrolidine-2-carboxamido)-3-(4-(3,5-dichloroisonicotinamido)phenyl)propanoic acid compound with methanesulfonic acid (1:1)

InChi Key: KHZPBUGRFNTMOR-YHEIIOCHSA-N

InChi Code: InChI=1S/C31H30Cl2N6O6S.CH4O3S/c32-24-15-35-16-25(33)28(24)30(41)37-21-9-7-18(8-10-21)12-26(31(42)43)38-29(40)27-13-22(36-20-4-2-5-20)17-39(27)46(44,45)23-6-1-3-19(11-23)14-34;1-5(2,3)4/h1,3,6-11,15-16,20,22,26-27,36H,2,4-5,12-13,17H2,(H,37,41)(H,38,40)(H,42,43);1H3,(H,2,3,4)/t22-,26+,27+;/m1./s1

SMILES Code: O=C(O)[C@H](CC1=CC=C(NC(C2=C(Cl)C=NC=C2Cl)=O)C=C1)NC([C@H]3N(S(=O)(C4=CC=CC(C#N)=C4)=O)C[C@H](NC5CCC5)C3)=O.CS(=O)(O)=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, 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 781.68 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: Lin LS, Lanza T, Jewell JP, Liu P, Jones C, Kieczykowski GR, Treonze K, Si Q, Manior S, Koo G, Tong X, Wang J, Schuelke A, Pivnichny J, Wang R, Raab C, Vincent S, Davies P, Maccoss M, Mumford RA, Hagmann WK. Discovery of N-{N-[(3-cyanophenyl)sulfonyl]-4(R)-cyclobutylamino-(L)-prolyl}-4-[(3',5'-dichlor oisonicotinoyl) amino]-(L)-phenylalanine (MK-0668), an extremely potent and orally active antagonist of very late antigen-4. J Med Chem. 2009 Jun 11;52(11):3449-52. doi: 10.1021/jm900257b. PubMed PMID: 19441819.