BIO-1211 | CAS#187735-94-0 | Integrin alpha4beta1 inhibitor

MedKoo Cat#: 597891 | Name: BIO-1211

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Description:

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

BIO-1211 is an integrin alpha4beta1 inhibitor.

Chemical Structure

BIO-1211

CAS#187735-94-0

Theoretical Analysis

MedKoo Cat#: 597891

Name: BIO-1211

CAS#: 187735-94-0

Chemical Formula: C36H48N6O9

Exact Mass: 708.3483

Molecular Weight: 708.81

Elemental Analysis: C, 61.00; H, 6.83; N, 11.86; O, 20.31

Price and Availability

Size	Price	Availability	Quantity
1mg	USD 450.00	2 Weeks

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Synonym

BIO-1211; BIO 1211; BIO1211;

IUPAC/Chemical Name

(2-(4-(3-(o-tolyl)ureido)phenyl)acetyl)-L-leucyl-L-aspartyl-L-valyl-L-proline

InChi Key

NVVGCQABIHSJSQ-KFZSMJGVSA-N

InChi Code

InChI=1S/C36H48N6O9/c1-20(2)17-26(38-29(43)18-23-12-14-24(15-13-23)37-36(51)40-25-10-7-6-9-22(25)5)32(46)39-27(19-30(44)45)33(47)41-31(21(3)4)34(48)42-16-8-11-28(42)35(49)50/h6-7,9-10,12-15,20-21,26-28,31H,8,11,16-19H2,1-5H3,(H,38,43)(H,39,46)(H,41,47)(H,44,45)(H,49,50)(H2,37,40,51)/t26-,27-,28-,31-/m0/s1

SMILES Code

O=C(O)[C@H]1N(C([C@H](C(C)C)NC([C@H](CC(O)=O)NC([C@H](CC(C)C)NC(CC2=CC=C(NC(NC3=CC=CC=C3C)=O)C=C2)=O)=O)=O)=O)CCC1

Appearance

Solid powder

Purity

>95% (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

>3 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

2934.99.03.00

More Info

Product Data

Product Data

Instruction

View handling instruction

Biological target:

BIO-1211 is a α4β1 (VLA-4) inhibitor, with IC50 values of 4 nM and 2 μM for α4β1 and α4β7, respectively.

In vitro activity:

VLA antagonist BIO-1211 inhibited eosinophil chemotaxis induced by PAF. Reference: Zhejiang Da Xue Xue Bao Yi Xue Ban. 2003 Aug;32(4):279-82, 291. https://pubmed.ncbi.nlm.nih.gov/12970925/

In vivo activity:

Mice treated with both BIO-1211 and NTZ exhibited a considerable depletion in the EAE clinical score, which correlated with decreased expression of TNF-α, IL-17, IFN-γ and pervade of CD11b(+) and CD45(+) cells into the cerebral cortex. Reference: Immunol Invest. 2015;44(7):694-712. https://pubmed.ncbi.nlm.nih.gov/26436854/

Preparing Stock Solutions

The following data is based on the product molecular weight 708.81 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:

1. Zhao XY, Chen JQ, Xie QM, Tang HF, Bian RL. [Effects of BIO-1211 on eosinophil chemotaxis, recruitment and mediator release]. Zhejiang Da Xue Xue Bao Yi Xue Ban. 2003 Aug;32(4):279-82, 291. Chinese. PMID: 12970925. 2. Ramroodi N, Khani M, Ganjali Z, Javan MR, Sanadgol N, Khalseh R, Ravan H, Sanadgol E, Abdollahi M. Prophylactic Effect of BIO-1211 Small-Molecule Antagonist of VLA-4 in the EAE Mouse Model of Multiple Sclerosis. Immunol Invest. 2015;44(7):694-712. doi: 10.3109/08820139.2015.1085391. PMID: 26436854. 3. Dong XW, Du XG, Zhang SJ, Chen JQ, Xie QM. [Inhibitory effects of BIO-1211 on bronchoconstriction and neutrophil adhesion in rats]. Zhejiang Da Xue Xue Bao Yi Xue Ban. 2008 Jul;37(4):340-4. Chinese. PMID: 18705005.

In vitro protocol:

In vivo protocol:

1. Ramroodi N, Khani M, Ganjali Z, Javan MR, Sanadgol N, Khalseh R, Ravan H, Sanadgol E, Abdollahi M. Prophylactic Effect of BIO-1211 Small-Molecule Antagonist of VLA-4 in the EAE Mouse Model of Multiple Sclerosis. Immunol Invest. 2015;44(7):694-712. doi: 10.3109/08820139.2015.1085391. PMID: 26436854. 2. Dong XW, Du XG, Zhang SJ, Chen JQ, Xie QM. [Inhibitory effects of BIO-1211 on bronchoconstriction and neutrophil adhesion in rats]. Zhejiang Da Xue Xue Bao Yi Xue Ban. 2008 Jul;37(4):340-4. Chinese. PMID: 18705005.

1: Ramroodi N, Khani M, Ganjali Z, Javan MR, Sanadgol N, Khalseh R, Ravan H, Sanadgol E, Abdollahi M. Prophylactic Effect of BIO-1211 Small-Molecule Antagonist of VLA-4 in the EAE Mouse Model of Multiple Sclerosis. Immunol Invest. 2015;44(7):694-712. doi: 10.3109/08820139.2015.1085391. PubMed PMID: 26436854. 2: Zhao XY, Chen JQ, Xie QM, Tang HF, Bian RL. [Effects of BIO-1211 on eosinophil chemotaxis, recruitment and mediator release]. Zhejiang Da Xue Xue Bao Yi Xue Ban. 2003 Aug;32(4):279-82, 291. Chinese. PubMed PMID: 12970925. 3: Dong XW, Du XG, Zhang SJ, Chen JQ, Xie QM. [Inhibitory effects of BIO-1211 on bronchoconstriction and neutrophil adhesion in rats]. Zhejiang Da Xue Xue Bao Yi Xue Ban. 2008 Jul;37(4):340-4. Chinese. PubMed PMID: 18705005. 4: Muthusamy R, Shivakumar MS. Effect of lambda cyhalothrin and temephos on detoxification enzyme systems in Culex quinquefasciatus (Diptera: Culicidae). J Environ Biol. 2015 Jan;36(1):235-9. PubMed PMID: 26536798. 5: Arif R, Farag M, Seppelt P, Beller CJ, Ruhparwar A, Karck M, Kallenbach K. Patients with systemic lupus erythematosus and antiphospholipid syndrome undergoing cardiac valve surgery. J Heart Valve Dis. 2015 Mar;24(2):228-35. PubMed PMID: 26204691. 6: Lau EG, Reyes C, Stepenaskie S, Zlotoff B. A red, white, and blue plaque on the flank of a newborn. Pediatr Dermatol. 2013 Nov-Dec;30(6):749-50. doi: 10.1111/pde.12012. PubMed PMID: 24283443. 7: Dattoli SD, De Marco R, Baiula M, Spampinato S, Greco A, Tolomelli A, Gentilucci L. Synthesis and assay of retro-α4β1 integrin-targeting motifs. Eur J Med Chem. 2014 Feb 12;73:225-32. doi: 10.1016/j.ejmech.2013.12.009. Epub 2013 Dec 19. PubMed PMID: 24412498. 8: Abraham WM, Gill A, Ahmed A, Sielczak MW, Lauredo IT, Botinnikova Y, Lin KC, Pepinsky B, Leone DR, Lobb RR, Adams SP. A small-molecule, tight-binding inhibitor of the integrin alpha(4)beta(1) blocks antigen-induced airway responses and inflammation in experimental asthma in sheep. Am J Respir Crit Care Med. 2000 Aug;162(2 Pt 1):603-11. PubMed PMID: 10934094. 9: Lin Kc, Ateeq HS, Hsiung SH, Chong LT, Zimmerman CN, Castro A, Lee WC, Hammond CE, Kalkunte S, Chen LL, Pepinsky RB, Leone DR, Sprague AG, Abraham WM, Gill A, Lobb RR, Adams SP. Selective, tight-binding inhibitors of integrin alpha4beta1 that inhibit allergic airway responses. J Med Chem. 1999 Mar 11;42(5):920-34. PubMed PMID: 10072689. 10: Drin G, Cottin S, Blanc E, Rees AR, Temsamani J. Studies on the internalization mechanism of cationic cell-penetrating peptides. J Biol Chem. 2003 Aug 15;278(33):31192-201. Epub 2003 Jun 3. PubMed PMID: 12783857. 11: Karanam BV, Jayraj A, Rabe M, Wang Z, Keohane C, Strauss J, Vincent S. Effect of enalapril on the in vitro and in vivo peptidyl cleavage of a potent VLA-4 antagonist. Xenobiotica. 2007 May;37(5):487-502. PubMed PMID: 17523052. 12: Chwalisz K, Elger W, Stickler T, Mattia-Goldberg C, Larsen L. The effects of 1-month administration of asoprisnil (J867), a selective progesterone receptor modulator, in healthy premenopausal women. Hum Reprod. 2005 Apr;20(4):1090-9. Epub 2005 Jan 21. PubMed PMID: 15665012. 13: Chen LL, Whitty A, Lobb RR, Adams SP, Pepinsky RB. Multiple activation states of integrin alpha4beta1 detected through their different affinities for a small molecule ligand. J Biol Chem. 1999 May 7;274(19):13167-75. PubMed PMID: 10224072.