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MedKoo Cat#: 528905 | Name: Maralixibat bromide

Description:

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

Maralixibat (also known as SHP625, LUM001, and lopixibat) is an ileal bile acid transporter inhibitor, like odevixibat. Maralixibat is indicated for the treatment of cholestatic pruritus in patients with Alagille syndrome, who are at least 1 year old. Previously, patients with cholestatic pruritus associated with Alagille syndrome were treated with antihistamines, rifampin, ursodeoxycholic acid, cholestyramine, naltrexone, and sertraline alone or in combination. Maralixibat represents the first FDA approved treatment for cholestatic pruritus in patients with Alagille syndrome. Maralixibat was granted FDA approval on 29 September 2021.

Chemical Structure

Maralixibat bromide
Maralixibat bromide
CAS#Maralixibat bromide

Theoretical Analysis

MedKoo Cat#: 528905

Name: Maralixibat bromide

CAS#: Maralixibat bromide

Chemical Formula: C40H56BrN3O4S

Exact Mass: 674.3986

Molecular Weight: 754.87

Elemental Analysis: C, 63.65; H, 7.48; Br, 10.59; N, 5.57; O, 8.48; S, 4.25

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.
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Related CAS #
228113-66-4 (chloride) 716313-53-0 (cation) Maralixibat bromide Maralixibat chloride hydrate
Synonym
LUM-001; LUM 001; LUM001; SHP625; SHP-625; SHP 625; lopixibat; Maralixibat Chloride; Maralixibat bromide;
IUPAC/Chemical Name
1-(4-((4-((4R,5R)-3,3-dibutyl-7-(dimethylamino)-4-hydroxy-1,1-dioxido-2,3,4,5-tetrahydrobenzo[b]thiepin-5-yl)phenoxy)methyl)benzyl)-1,4-diazabicyclo[2.2.2]octan-1-ium bromide
InChi Key
ISZDVJLIDBLODR-RUKDTIIFSA-M
InChi Code
InChI=1S/C40H56N3O4S.BrH/c1-5-7-19-40(20-8-6-2)30-48(45,46)37-18-15-34(41(3)4)27-36(37)38(39(40)44)33-13-16-35(17-14-33)47-29-32-11-9-31(10-12-32)28-43-24-21-42(22-25-43)23-26-43;/h9-18,27,38-39,44H,5-8,19-26,28-30H2,1-4H3;1H/q+1;/p-1/t38-,39-;/m1./s1
SMILES Code
O=S1(C2=CC=C(N(C)C)C=C2[C@@H](C3=CC=C(OCC4=CC=C(C=C4)C[N+]5(CC6)CCN6CC5)C=C3)[C@@H](O)C(CCCC)(CCCC)C1)=O.[Br-]
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
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 754.87 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: Kohut TJ, Gilbert MA, Loomes KM. Alagille Syndrome: A Focused Review on Clinical Features, Genetics, and Treatment. Semin Liver Dis. 2021 Jul 2. doi: 10.1055/s-0041-1730951. Epub ahead of print. PMID: 34215014. 2: Hertel PM, Bull LN, Thompson RJ, Goodrich NP, Ye W, Magee JC, Squires RH, Bass LM, Heubi JE, Kim GE, Ranganathan S, Schwarz KB, Bozic MA, Horslen SP, Clifton MS, Turmelle YP, Suchy FJ, Superina RA, Wang KS, Loomes KM, Kamath BM, Sokol RJ, Shneider BL; Childhood Liver Disease Research Network (ChiLDReN). Mutation Analysis and Disease Features at Presentation in a Multi-Center Cohort of Children With Monogenic Cholestasis. J Pediatr Gastroenterol Nutr. 2021 Aug 1;73(2):169-177. doi: 10.1097/MPG.0000000000003153. PMID: 34016879; PMCID: PMC8373673. 3: Burns J, Davenport M. Adjuvant treatments for biliary atresia. Transl Pediatr. 2020 Jun;9(3):253-265. doi: 10.21037/tp.2016.10.08. PMID: 32775244; PMCID: PMC7347763. 4: Karpen SJ, Kelly D, Mack C, Stein P. Ileal bile acid transporter inhibition as an anticholestatic therapeutic target in biliary atresia and other cholestatic disorders. Hepatol Int. 2020 Sep;14(5):677-689. doi: 10.1007/s12072-020-10070-w. Epub 2020 Jul 11. PMID: 32653991. 5: Kamath BM, Spino C, McLain R, Magee JC, Fredericks EM, Setchell KD, Miethke A, Molleston JP, Mack CL, Squires RH, Alonso EM, Murray KF, Loomes KM, Kyle Jensen M, Karpen SJ, Rosenthal P, Thomas D, Sokol RJ, Shneider BL; Childhood Liver Disease Research Network (ChiLDReN). Unraveling the Relationship Between Itching, Scratch Scales, and Biomarkers in Children With Alagille Syndrome. Hepatol Commun. 2020 May 26;4(7):1012-1018. doi: 10.1002/hep4.1522. PMID: 32626833; PMCID: PMC7327199. 6: Mayo MJ, Pockros PJ, Jones D, Bowlus CL, Levy C, Patanwala I, Bacon B, Luketic V, Vuppalanchi R, Medendorp S, Dorenbaum A, Kennedy C, Novak P, Gu J, Apostol G, Hirschfield GM. A Randomized, Controlled, Phase 2 Study of Maralixibat in the Treatment of Itching Associated With Primary Biliary Cholangitis. Hepatol Commun. 2019 Feb 1;3(3):365-381. doi: 10.1002/hep4.1305. PMID: 30859149; PMCID: PMC6396374. 7: Shneider BL, Spino C, Kamath BM, Magee JC, Bass LM, Setchell KD, Miethke A, Molleston JP, Mack CL, Squires RH, Murray KF, Loomes KM, Rosenthal P, Karpen SJ, Leung DH, Guthery SL, Thomas D, Sherker AH, Sokol RJ; Childhood Liver Disease Research Network. Placebo-Controlled Randomized Trial of an Intestinal Bile Salt Transport Inhibitor for Pruritus in Alagille Syndrome. Hepatol Commun. 2018 Sep 24;2(10):1184-1198. doi: 10.1002/hep4.1244. PMID: 30288474; PMCID: PMC6167076. 8: Malatack JJ, Doyle D. A Drug Regimen for Progressive Familial Cholestasis Type 2. Pediatrics. 2018 Jan;141(1):e20163877. doi: 10.1542/peds.2016-3877. PMID: 29284646.