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MedKoo Cat#: 206830 | Name: Zanubrutinib
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Description:

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

Zanubrutinib, aslo known as BGB-3111, is a potent and highly selective small molecule BTK inhibitor for the potential treatment of a variety of lymphomas. BGB-3111 selectively binds to and inhibits the activity of BTK and prevents the activation of the B-cell antigen receptor (BCR) signaling pathway. Zanubrutinib has CAS#1691249-45-2 which is the S-isomer.

Chemical Structure

Zanubrutinib
Zanubrutinib
CAS#1691249-45-2 (S-isomer)

Theoretical Analysis

MedKoo Cat#: 206830

Name: Zanubrutinib

CAS#: 1691249-45-2 (S-isomer)

Chemical Formula: C27H29N5O3

Exact Mass: 471.2270

Molecular Weight: 471.56

Elemental Analysis: C, 68.77; H, 6.20; N, 14.85; O, 10.18

Price and Availability

Size Price Availability Quantity
5mg USD 90.00 Ready to ship
10mg USD 150.00 Ready to ship
25mg USD 250.00 Ready to ship
50mg USD 450.00 Ready to ship
100mg USD 750.00 Ready to ship
200mg USD 1,350.00 Ready to ship
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Related CAS #
1633350-06-7 (racemic) 1691249-45-2 (S-isomer) 1691249-44-1 (R-isomer)
Synonym
BGB-3111; BGB 3111; BGB3111; Zanubrutinib; Brukinsa.
IUPAC/Chemical Name
(7S)-4,5,6,7-Tetrahydro-7-[1-(1-oxo-2-propen-1-yl)-4-piperidinyl]-2-(4-phenoxyphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
InChi Key
RNOAOAWBMHREKO-QFIPXVFZSA-N
InChi Code
InChI=1S/C27H29N5O3/c1-2-23(33)31-16-13-18(14-17-31)22-12-15-29-27-24(26(28)34)25(30-32(22)27)19-8-10-21(11-9-19)35-20-6-4-3-5-7-20/h2-11,18,22,29H,1,12-17H2,(H2,28,34)/t22-/m0/s1
SMILES Code
O=C(C1=C2NCC[C@@H](C3CCN(C(C=C)=O)CC3)N2N=C1C4=CC=C(OC5=CC=CC=C5)C=C4)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
>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
BTK, a member of the TEC family of cytoplasmic tyrosine kinases, is overexpressed in B-cell malignancies; it plays an important role in the development, activation, signaling, proliferation and survival of B-lymphocytes.
Solvent mg/mL mM
Solubility
DMSO 99.7 211.36
DMF 10.0 21.21
DMF:PBS (pH 7.2) (1:5) 0.2 0.34
Ethanol 33.3 70.68
Note: There can be variations in solubility for the same chemical from different vendors or different batches from the same vendor. The following factors can affect the solubility of the same chemical: solvent used for crystallization, residual solvent content, polymorphism, salt versus free form, degree of hydration, solvent temperature. Please use the solubility data as a reference only. Warming and sonication will facilitate dissolving. Still have questions? Please contact our Technical Support scientists.

Preparing Stock Solutions

The following data is based on the product molecular weight 471.56 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
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