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MedKoo Cat#: 561054 | Name: CBIP

Description:

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

CBIP is a small-molecule inhibitors of botulinum neurotoxin serotype A light chain (BoNT/A LC). CBIP possesses low micromolar activity against BoNT/A.

Chemical Structure

CBIP
CBIP
CAS#Unknown

Theoretical Analysis

MedKoo Cat#: 561054

Name: CBIP

CAS#: Unknown

Chemical Formula: C18H17ClN2O2

Exact Mass: 328.0979

Molecular Weight: 328.80

Elemental Analysis: C, 65.75; H, 5.21; Cl, 10.78; N, 8.52; O, 9.73

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 #
No Data
Synonym
CBIP
IUPAC/Chemical Name
5-(1-Butyl-4-chloro-1H-indol-2-yl)picolinic acid
InChi Key
WBHKRGOPCYOGDO-UHFFFAOYSA-N
InChi Code
InChI=1S/C18H17ClN2O2/c1-2-3-9-21-16-6-4-5-14(19)13(16)10-17(21)12-7-8-15(18(22)23)20-11-12/h4-8,10-11H,2-3,9H2,1H3,(H,22,23)
SMILES Code
O=C(O)C1=NC=C(C(N2CCCC)=CC3=C2C=CC=C3Cl)C=C1
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 328.80 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: Bremer PT, Xue S, Janda KD. Picolinic acids as β-exosite inhibitors of botulinum neurotoxin A light chain. Chem Commun (Camb). 2016 Oct 13;52(84):12521-12524. PubMed PMID: 27722252; PubMed Central PMCID: PMC5085802. 2: Wu YC, Hsieh WS, Hsu CH, Chang JH, Chou HC, Hsu HC, Chiu NC, Lee WT, Chen WJ, Ho YW, Jeng SF. Intervention effects on emotion regulation in preterm infants with very low birth weight: A randomize controlled trial. Res Dev Disabil. 2016 Jan;48:1-12. doi: 10.1016/j.ridd.2015.10.016. Epub 2015 Oct 31. PubMed PMID: 26524725. 3: Wu YC, Leng CH, Hsieh WS, Hsu CH, Chen WJ, Gau SS, Chiu NC, Yang MC, Li-Jung Fang, Hsu HC, Yu YT, Wu YT, Chen LC, Jeng SF. A randomized controlled trial of clinic-based and home-based interventions in comparison with usual care for preterm infants: effects and mediators. Res Dev Disabil. 2014 Oct;35(10):2384-93. doi: 10.1016/j.ridd.2014.06.009. Epub 2014 Jun 26. PubMed PMID: 24973546. 4: Fresquet V, Williams L, Raushel FM. Partial randomization of the four sequential amidation reactions catalyzed by cobyric acid synthetase with a single point mutation. Biochemistry. 2007 Dec 11;46(49):13983-93. Epub 2007 Nov 15. PubMed PMID: 18001139; PubMed Central PMCID: PMC2518967. 5: Roessner CA, Williams HJ, Scott AI. Genetically engineered production of 1-desmethylcobyrinic acid, 1-desmethylcobyrinic acid a,c-diamide, and cobyrinic acid a,c-diamide in Escherichia coli implies a role for CbiD in C-1 methylation in the anaerobic pathway to cobalamin. J Biol Chem. 2005 Apr 29;280(17):16748-53. Epub 2005 Feb 28. PubMed PMID: 15741157. 6: Woodson JD, Zayas CL, Escalante-Semerena JC. A new pathway for salvaging the coenzyme B12 precursor cobinamide in archaea requires cobinamide-phosphate synthase (CbiB) enzyme activity. J Bacteriol. 2003 Dec;185(24):7193-201. PubMed PMID: 14645280; PubMed Central PMCID: PMC296239. 7: Roper JM, Raux E, Brindley AA, Schubert HL, Gharbia SE, Shah HN, Warren MJ. The enigma of cobalamin (Vitamin B12) biosynthesis in Porphyromonas gingivalis. Identification and characterization of a functional corrin pathway. J Biol Chem. 2000 Dec 22;275(51):40316-23. PubMed PMID: 11007789. 8: Raux E, Lanois A, Rambach A, Warren MJ, Thermes C. Cobalamin (vitamin B12) biosynthesis: functional characterization of the Bacillus megaterium cbi genes required to convert uroporphyrinogen III into cobyrinic acid a,c-diamide. Biochem J. 1998 Oct 1;335 ( Pt 1):167-73. PubMed PMID: 9742226; PubMed Central PMCID: PMC1219765.