MedKoo Cat#: 463805 | Name: BIIB091
Featured

Description:

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

BIIB091 is a novel potent, highly selective BTK inhibitor for the treatment of multiple sclerosis. BIIB091 binds the BTK protein in a DFG-in confirmation designed to sequester Tyr-551, an important phosphorylation site on BTK, into an inactive conformation with excellent affinity. Preclinical studies demonstrated BIB091 to be a high potency molecule with good drug-like properties and a safety/tolerability profile suitable for clinical development as a highly selective, reversible BTKi for treating autoimmune diseases such as MS.

Chemical Structure

BIIB091
BIIB091
CAS#2247614-80-6

Theoretical Analysis

MedKoo Cat#: 463805

Name: BIIB091

CAS#: 2247614-80-6

Chemical Formula: C28H34N10O2

Exact Mass: 542.2866

Molecular Weight: 542.65

Elemental Analysis: C, 61.98; H, 6.32; N, 25.81; O, 5.90

Price and Availability

Size Price Availability Quantity
1mg USD 785.00 2 Weeks
5mg USD 1,650.00 2 Weeks
10mg USD 2,650.00 2 Weeks
Bulk Inquiry
Buy Now
Add to Cart
Related CAS #
No Data
Synonym
BIIB091; BIIB 091; BIIB-091;
IUPAC/Chemical Name
1-(tert-butyl)-N-(8-(2-((1-methyl-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)-2-(oxetan-3-yl)-2,3,4,5-tetrahydro-1H-benzo[c]azepin-5-yl)-1H-1,2,3-triazole-4-carboxamide
InChi Key
JSAQBOQCZJHWMA-UHFFFAOYSA-N
InChi Code
InChI=1S/C28H34N10O2/c1-28(2,3)38-15-25(34-35-38)26(39)32-24-8-10-37(21-16-40-17-21)13-19-11-18(5-6-22(19)24)23-7-9-29-27(33-23)31-20-12-30-36(4)14-20/h5-7,9,11-12,14-15,21,24H,8,10,13,16-17H2,1-4H3,(H,32,39)(H,29,31,33)
SMILES Code
O=C(C1=CN(C(C)(C)C)N=N1)NC2CCN(C3COC3)CC4=CC(C5=NC(NC6=CN(C)N=C6)=NC=C5)=CC=C24
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 542.65 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