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MedKoo Cat#: 584821 | Name: Sibofimloc
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Description:

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

Sibofimloc, also known as VRT-1353385 and Antibiotic-202, is an Escherichia coli fimbrial (FimH) adhesin inhibitor.

Chemical Structure

Sibofimloc
CAS#1616113-45-1

Theoretical Analysis

MedKoo Cat#: 584821

Name: Sibofimloc

CAS#: 1616113-45-1

Chemical Formula: C35H39NO11

Exact Mass: 649.2523

Molecular Weight: 649.69

Elemental Analysis: C, 64.71; H, 6.05; N, 2.16; O, 27.09

Price and Availability

Size Price Availability Quantity
50mg USD 150.00 2 Weeks
100mg USD 250.00 2 Weeks
200mg USD 450.00 2 Weeks
500mg USD 950.00 2 Weeks
1g USD 1,650.00 2 Weeks
2g USD 2,950.00 2 Weeks
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Related CAS #
No Data
Synonym
Sibofimloc; VRT-1353385; VRT 1353385; VRT1353385; Antibiotic-202; Antibiotic 202; Antibiotic202;
IUPAC/Chemical Name
1-[2,7-bis[2-[(2R,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethynyl]spiro[fluorene-9,4′-piperidine]-1′-yl]ethanone
InChi Key
SFHMWDMKUYVSQJ-VECBPBMLSA-N
InChi Code
InChI=1S/C35H39NO11/c1-18(39)36-12-10-35(11-13-36)23-14-19(4-8-25-29(40)33(44)31(42)27(16-37)46-25)2-6-21(23)22-7-3-20(15-24(22)35)5-9-26-30(41)34(45)32(43)28(17-38)47-26/h2-3,6-7,14-15,25-34,37-38,40-45H,10-13,16-17H2,1H3/t25-,26-,27-,28-,29-,30-,31-,32-,33-,34-/m1/s1
SMILES Code
CC(N1CCC2(CC1)C3=C(C4=C2C=C(C#C[C@H]5O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]5O)C=C4)C=CC(C#C[C@H]6O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]6O)=C3)=O
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
>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
2934.99.9001
More Info
Product Data
Product Data
Instruction
View handling instruction
Biological target:
Sibofimloc has anti-bacterial infective activity.
In vitro activity:
To be determined
In vivo activity:
In this phase 1b study in adults with active Crohn’s disease, sibofimloc demonstrated minimal systemic exposure with good tolerance, while decreasing several inflammatory biomarkers. Sibofimloc was well tolerated with only grade 1-2 events observed. Several pro-inflammatory biomarkers, including IL-1β, IL-6, IL-8, TNF-α, IFN-γ, and calprotectin, were decreased in stool by end of study. Reference: J Gastroenterol Hepatol. 2022 May;37(5):832-840. https://pubmed.ncbi.nlm.nih.gov/35266174/

Preparing Stock Solutions

The following data is based on the product molecular weight 649.69 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
Formulation protocol:
1. Reinisch W, Hébuterne X, Buisson A, Schreiber S, Desreumaux P, Primas C, Paillarse JM, Chevalier G, Bonny C. Safety, pharmacokinetic, and pharmacodynamic study of sibofimloc, a novel FimH blocker in patients with active Crohn's disease. J Gastroenterol Hepatol. 2022 May;37(5):832-840. doi: 10.1111/jgh.15828. Epub 2022 Mar 18. PMID: 35266174.
In vitro protocol:
To be determined
In vivo protocol:
1. Reinisch W, Hébuterne X, Buisson A, Schreiber S, Desreumaux P, Primas C, Paillarse JM, Chevalier G, Bonny C. Safety, pharmacokinetic, and pharmacodynamic study of sibofimloc, a novel FimH blocker in patients with active Crohn's disease. J Gastroenterol Hepatol. 2022 May;37(5):832-840. doi: 10.1111/jgh.15828. Epub 2022 Mar 18. PMID: 35266174.
[1]. Ramtohul, Yeeman K, et al. Preparation of mannose derivatives via coupling and click cycloaddition reactions for treating bacterial infections. From PCT Int. Appl. (2014), WO 2014100158 A1 20140626.