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MedKoo Cat#: 413824 | Name: Dirucotide Free Base

Description:

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

Dirucotide Free Base is a synthetic peptide analog of myelin basic protein for the treatment of multiple sclerosis.

Chemical Structure

Dirucotide Free Base
Dirucotide Free Base
CAS#152074-97-0 (free base)

Theoretical Analysis

MedKoo Cat#: 413824

Name: Dirucotide Free Base

CAS#: 152074-97-0 (free base)

Chemical Formula: C92H141N25O26

Exact Mass: 2012.0480

Molecular Weight: 2013.29

Elemental Analysis: C, 54.89; H, 7.06; N, 17.39; O, 20.66

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
Bulk Inquiry
Related CAS #
781666-30-6 (acetate) 152074-97-0 (free base)
Synonym
Dirucotide Free Base; MBP 8298; MBP-8298; MBP8298; SF 328; SF-328; SF328
IUPAC/Chemical Name
L-Threonine, L-alpha-aspartyl-L-alpha-glutamyl-L-asparaginyl-L-prolyl-L-valyl-L-valyl-L-histidyl-L-phenylalanyl-L-phenylalanyl-L-lysyl-L-asparaginyl-L-isoleucyl-L-valyl-L-threonyl-L-prolyl-L-arginyl-
InChi Key
RCTCWZRPYFBGLQ-WMCRPSJMSA-N
InChi Code
InChI=1S/C92H141N25O26/c1-11-48(8)72(88(139)112-71(47(6)7)87(138)114-73(49(9)118)90(141)117-36-22-29-63(117)83(134)104-56(28-20-34-100-92(97)98)78(129)115-74(50(10)119)91(142)143)113-82(133)61(41-65(95)120)107-76(127)55(27-18-19-33-93)103-79(130)58(37-51-23-14-12-15-24-51)105-80(131)59(38-52-25-16-13-17-26-52)106-81(132)60(39-53-43-99-44-101-53)108-85(136)69(45(2)3)111-86(137)70(46(4)5)110-84(135)64-30-21-35-116(64)89(140)62(42-66(96)121)109-77(128)57(31-32-67(122)123)102-75(126)54(94)40-68(124)125/h12-17,23-26,43-50,54-64,69-74,118-119H,11,18-22,27-42,93-94H2,1-10H3,(H2,95,120)(H2,96,121)(H,99,101)(H,102,126)(H,103,130)(H,104,134)(H,105,131)(H,106,132)(H,107,127)(H,108,136)(H,109,128)(H,110,135)(H,111,137)(H,112,139)(H,113,133)(H,114,138)(H,115,129)(H,122,123)(H,124,125)(H,142,143)(H4,97,98,100)/t48-,49+,50+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,69-,70-,71-,72-,73-,74-/m0/s1
SMILES Code
CC[C@@H]([C@@H](C(N[C@H](C(N[C@H](C(N1CCC[C@H]1C(N[C@H](C(N[C@H](C(O)=O)[C@H](O)C)=O)CCCNC(N)=N)=O)=O)[C@H](O)C)=O)C(C)C)=O)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](C(C)C)NC([C@H](C(C)C)NC([C@@H]2CCCN2C([C@@H](NC([C@@H](NC([C@H](CC(O)=O)N)=O)CCC(O)=O)=O)CC(N)=O)=O)=O)=O)=O)Cc3[nH]cnc3)=O)Cc4ccccc4)=O)Cc5ccccc5)=O)CCCCN)=O)CC(N)=O)=O)C
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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 2,013.29 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: Boudesocque L, Forni L, Martinez A, Nuzillard JM, Giraud M, Renault JH. Purification of dirucotide, a synthetic 17-aminoacid peptide, by ion exchange centrifugal partition chromatography. J Chromatogr A. 2017 Sep 1;1513:78-83. doi: 10.1016/j.chroma.2017.07.003. Epub 2017 Jul 15. PMID: 28739271. 2: Deraos G, Kritsi E, Matsoukas MT, Christopoulou K, Kalbacher H, Zoumpoulakis P, Apostolopoulos V, Matsoukas J. Design of Linear and Cyclic Mutant Analogues of Dirucotide Peptide (MBP82⁻98) against Multiple Sclerosis: Conformational and Binding Studies to MHC Class II. Brain Sci. 2018 Dec 4;8(12):213. doi: 10.3390/brainsci8120213. PMID: 30518150; PMCID: PMC6316436. 3: Molecule of the month. Dirucotide. Drug News Perspect. 2008 Dec;21(10):572. PMID: 19221637. 4: Fontoura P, Garren H. Multiple sclerosis therapies: molecular mechanisms and future. Results Probl Cell Differ. 2010;51:259-85. doi: 10.1007/400_2010_36. PMID: 20838962. 5: Freedman MS, Bar-Or A, Oger J, Traboulsee A, Patry D, Young C, Olsson T, Li D, Hartung HP, Krantz M, Ferenczi L, Verco T; MAESTRO-01 Investigators. A phase III study evaluating the efficacy and safety of MBP8298 in secondary progressive MS. Neurology. 2011 Oct 18;77(16):1551-60. doi: 10.1212/WNL.0b013e318233b240. Epub 2011 Oct 5. PMID: 21975206. 6: Loo EW, Krantz MJ, Agrawal B. High dose antigen treatment with a peptide epitope of myelin basic protein modulates T cells in multiple sclerosis patients. Cell Immunol. 2012 Nov;280(1):10-5. doi: 10.1016/j.cellimm.2012.11.004. Epub 2012 Nov 27. PMID: 23246830. 7: Darlington C. MBP-8298, a synthetic peptide analog of myelin basic protein for the treatment of multiple sclerosis. Curr Opin Mol Ther. 2007 Aug;9(4):398-402. PMID: 17694453.

View History

SU-13197

SU-13197