MedKoo Biosciences, Inc.
Tel:   +1-919-636-5577    Fax:   +1-919-980-4831    Email:   sales@medkoo.com
Search
Login Register
Search
MedKoo Cat#: 319612 | Name: Firategrast
Featured New

Description:

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

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
Firategrast
CAS#402567-16-2

Theoretical Analysis

MedKoo Cat#: 319612

Name: Firategrast

CAS#: 402567-16-2

Chemical Formula: C27H27F2NO6

Exact Mass: 499.1806

Molecular Weight: 499.51

Elemental Analysis: C, 64.92; H, 5.45; F, 7.61; N, 2.80; O, 19.22

Price and Availability

Size Price Availability Quantity
25mg USD 450.00 2 Weeks
50mg USD 750.00 2 Weeks
100mg USD 1,250.00 2 Weeks
200mg USD 2,050.00 2 Weeks
500mg USD 3,950.00 2 Weeks
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
Synonym
SB-683699; SB 683699; SB683699; Firategrast; firategrastum
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

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.

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: Piehl F. Current and emerging disease-modulatory therapies and treatment targets for multiple sclerosis. J Intern Med. 2021 Jun;289(6):771-791. doi: 10.1111/joim.13215. Epub 2020 Dec 20. PMID: 33258193; PMCID: PMC8246813. 2: 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. PMID: 22226930. 3: 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. PMID: 22226929. 4: Ucaryilmaz Metin C, Ozcan G. Comprehensive bioinformatic analysis reveals a cancer-associated fibroblast gene signature as a poor prognostic factor and potential therapeutic target in gastric cancer. BMC Cancer. 2022 Jun 23;22(1):692. doi: 10.1186/s12885-022-09736-5. PMID: 35739492; PMCID: PMC9229147. 5: 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. PMID: 23419064. 6: Kim AG, Vrecenak JD, Boelig MM, Eissenberg L, Rettig MP, Riley JS, Holt MS, Conner MA, Loukogeorgakis SP, Li H, DiPersio JF, Flake AW, Peranteau WH. Enhanced in utero allogeneic engraftment in mice after mobilizing fetal HSCs by α4β1/7 inhibition. Blood. 2016 Nov 17;128(20):2457-2461. doi: 10.1182/blood-2016-06-723981. Epub 2016 Sep 20. PMID: 27650329; PMCID: PMC5114489. 7: 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. PMID: 24343726. 8: 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. PMID: 24900800; PMCID: PMC4027761. 9: Yousefian Naeini Z, Esfandiari N, Hashemi M, Hushmandi K, Arbabian S, Entezari M. Introduced the ITGB1-DT as a novel biomarker associated with five potential drugs using bioinformatics analysis of breast cancer proteomics data and RT-PCR. Mol Cell Probes. 2023 Oct;71:101930. doi: 10.1016/j.mcp.2023.101930. Epub 2023 Sep 11. PMID: 37690573.