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MedKoo Cat#: 564748 | Name: BI-BTK-1

Description:

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

BI-BTK-1 is a highly selective and potent irreversible BTK inhibitor.

Chemical Structure

BI-BTK-1
BI-BTK-1
CAS#NONE

Theoretical Analysis

MedKoo Cat#: 564748

Name: BI-BTK-1

CAS#: NONE

Chemical Formula: C32H38N6O3

Exact Mass: 554.3005

Molecular Weight: 554.70

Elemental Analysis: C, 69.29; H, 6.91; N, 15.15; O, 8.65

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 #
No Data
Synonym
BI-BTK-1; BI-BTK-1; BI-BTK-1
IUPAC/Chemical Name
5-Amino-3-(4-phenoxyphenyl)-1-((2r,4s)-6-((E)-4-(piperidin-1-yl)but-2-enoyl)-6-azaspiro[3.4]octan-2-yl)-1H-pyrazole-4-carboxamide
InChi Key
UVUIBFFFKKCSPU-FKEPVJCVSA-N
InChi Code
InChI=1S/C32H38N6O3/c33-30-28(31(34)40)29(23-11-13-26(14-12-23)41-25-8-3-1-4-9-25)35-38(30)24-20-32(21-24)15-19-37(22-32)27(39)10-7-18-36-16-5-2-6-17-36/h1,3-4,7-14,24H,2,5-6,15-22,33H2,(H2,34,40)/b10-7+/t24-,32+
SMILES Code
O=C(C1=C(N)N([C@H]2C[C@@]3(CN(C(/C=C/CN4CCCCC4)=O)CC3)C2)N=C1C5=CC=C(OC6=CC=CC=C6)C=C5)N
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
>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

Preparing Stock Solutions

The following data is based on the product molecular weight 554.70 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: Chalmers SA, Glynn E, Garcia SJ, Panzenbeck M, Pelletier J, Dimock J, Seccareccia E, Bosanac T, Khalil S, Harcken C, Webb D, Nabozny G, Fine JS, Souza D, Klein E, Herlitz L, Ramanujam M, Putterman C. BTK inhibition ameliorates kidney disease in spontaneous lupus nephritis. Clin Immunol. 2018 Dec;197:205-218. doi: 10.1016/j.clim.2018.10.008. Epub 2018 Oct 16. PubMed PMID: 30339790. 2: Chalmers SA, Wen J, Doerner J, Stock A, Cuda CM, Makinde HM, Perlman H, Bosanac T, Webb D, Nabozny G, Fine JS, Klein E, Ramanujam M, Putterman C. Highly selective inhibition of Bruton's tyrosine kinase attenuates skin and brain disease in murine lupus. Arthritis Res Ther. 2018 Jan 25;20(1):10. doi: 10.1186/s13075-017-1500-0. PubMed PMID: 29370834; PubMed Central PMCID: PMC5785891. 3: Chalmers SA, Doerner J, Bosanac T, Khalil S, Smith D, Harcken C, Dimock J, Der E, Herlitz L, Webb D, Seccareccia E, Feng D, Fine JS, Ramanujam M, Klein E, Putterman C. Therapeutic Blockade of Immune Complex-Mediated Glomerulonephritis by Highly Selective Inhibition of Bruton's Tyrosine Kinase. Sci Rep. 2016 May 19;6:26164. doi: 10.1038/srep26164. PubMed PMID: 27192942; PubMed Central PMCID: PMC4872164.