MedKoo Biosciences

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

MedKoo CAT#: 319612

CAS#: 402567-16-2

Description: Firategrast, also known as SB-683699 or T-0047, is an orally bioavailable alpha4 beta1/alpha4 beta7 integrin antagonist designed to reduce trafficking of lymphocytes into the central nervous system (CNS). This could decrease multiple sclerosis (MS) activity, but may compromise CNS immune surveillance. The integrins are a sort of transmembrane receptors that modulate the signal transduction from ECM to the cell. They are associated with a lot of diseases such as cancer, inflammation and thrombotic diseases.

Chemical Structure

Firategrast

CAS# 402567-16-2

Instruction

Theoretical Analysis

MedKoo Cat#: 319612
Name: Firategrast
CAS#: 402567-16-2
Chemical Formula: C27H27F2NO6
Exact Mass: 499.18
Molecular Weight: 499.511
Elemental Analysis: C, 64.92; H, 5.45; F, 7.61; N, 2.80; O, 19.22

Price and Availability

Size	Price	Availability
25mg	USD 450	2 Weeks
50mg	USD 750	2 Weeks
100mg	USD 1250	2 Weeks
200mg	USD 2050	2 Weeks
500mg	USD 3950	2 Weeks
1g	USD 5950	2 Weeks
2g	USD 9450	2 Weeks
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

Synonym: SB-683699; SB 683699; SB683699; T-0047; T 0047; T0047; Firategrast

IUPAC/Chemical Name: (2S)-2-[(2,6-difluorobenzoyl)amino]-3-[4-[4-(ethoxymethyl)-2,6-dimethoxyphenyl]phenyl]propanoic acid

InChi Key: YLFZHHDVRSYTKT-NRFANRHFSA-N

InChi Code: InChI=1S/C27H27F2NO6/c1-4-36-15-17-13-22(34-2)24(23(14-17)35-3)18-10-8-16(9-11-18)12-21(27(32)33)30-26(31)25-19(28)6-5-7-20(25)29/h5-11,13-14,21H,4,12,15H2,1-3H3,(H,30,31)(H,32,33)/t21-/m0/s1

SMILES Code: O=C(O)[C@@H](NC(C1=C(F)C=CC=C1F)=O)CC2=CC=C(C3=C(OC)C=C(COCC)C=C3OC)C=C2

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:

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

Preparing Stock Solutions

The following data is based on the product molecular weight 499.51 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.

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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*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

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1: Halland N, Blum H, Buning C, Kohlmann M, Lindenschmidt A. Small Macrocycles As
Highly Active Integrin α2β1 Antagonists. ACS Med Chem Lett. 2014 Jan
10;5(2):193-8. doi: 10.1021/ml4004556. eCollection 2014 Feb 13. PubMed PMID:
24900800; PubMed Central PMCID: PMC4027761.

2: Lu E, Wang BW, Alwan S, Synnes A, Dahlgren L, Sadovnick AD, Tremlett H. A
review of safety-related pregnancy data surrounding the oral disease-modifying
drugs for multiple sclerosis. CNS Drugs. 2014 Feb;28(2):89-94. doi:
10.1007/s40263-013-0131-5. Review. PubMed PMID: 24343726.

3: Grove RA, Shackelford S, Sopper S, Pirruccello S, Horrigan J, Havrdova E, Gold
M, Graff O. Leukocyte counts in cerebrospinal fluid and blood following
firategrast treatment in subjects with relapsing forms of multiple sclerosis. Eur
J Neurol. 2013 Jul;20(7):1032-42. doi: 10.1111/ene.12097. Epub 2013 Feb 18.
PubMed PMID: 23419064.

4: Prat A, Stüve O. Firategrast: natalizumab in a pill? Lancet Neurol. 2012
Feb;11(2):120-1. doi: 10.1016/S1474-4422(11)70306-4. Epub 2012 Jan 5. PubMed
PMID: 22226930.

5: Miller DH, Weber T, Grove R, Wardell C, Horrigan J, Graff O, Atkinson G, Dua
P, Yousry T, Macmanus D, Montalban X. Firategrast for relapsing remitting
multiple sclerosis: a phase 2, randomised, double-blind, placebo-controlled
trial. Lancet Neurol. 2012 Feb;11(2):131-9. doi: 10.1016/S1474-4422(11)70299-X.
Epub 2012 Jan 5. PubMed PMID: 22226929.

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