Zanubrutinib | BGB-3111 | CAS#1691249-45-2 | BTK inhibitor

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

MedKoo CAT#: 206830

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

Description: 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

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

Instruction

Theoretical Analysis

MedKoo Cat#: 206830
Name: Zanubrutinib
CAS#: 1691249-45-2 (S-isomer)
Chemical Formula: C27H29N5O3
Exact Mass: 471.23
Molecular Weight: 471.561
Elemental Analysis: C, 68.77; H, 6.20; N, 14.85; O, 10.18

Price and Availability

Size	Price	Availability
5mg	USD 90	Ready to ship
10mg	USD 150	Ready to ship
25mg	USD 250	Ready to ship
50mg	USD 450	Ready to ship
100mg	USD 750	Ready to ship
200mg	USD 1350	Ready to ship
Bulk inquiry Welcome, Customer: Please do not inquire quote if your intended use is for a patient since our products are for research use and for chemical synthesis use, not for human use . For in-stock products, we listed price in the web page. You may inquire prices for which sizes were not listed. If no price is listed, this means the product is not in stock at the moment, which may be available via custom synthesis. For cost-effective reason, minimum order of 1g is requested (typically very expensive). The lead time is usually 2-4 months. Quote of less than 1g will not be provided. MedKoo may not offer quote for below reasons: (1) current available synthetic method appears to be extremely expensive which is obviously not affordable to most customers; (2) Key raw material to make the product is temporally not available; (3) DEA controlled substances; (4) the product is under patent protection in customer’s country.

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.

Certificate of Analysis:

View CoA: current batch, Lot#T20D06P09
View CoA: current batch, Lot#YXM80322

QC Data:

View QC data: current batch, Lot#T20D06P09
View QC data: current batch, Lot#YXM80322

Safety Data Sheet (SDS):

View Safety Data Sheet (SDS)

Instruction:

View handling instruction

Biological target:
In vitro activity:
In vivo activity:

Solubility Data

	Solvent	Max Conc. mg/mL	Max Conc. 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

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.

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:
In vitro protocol:
In vivo protocol:

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*When preparing stock solutions always use the batch-specific molecular weight of the product found on the vial label and SDS / CoA (available online).

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1: Wong J, Cher L, Griffiths J, Cohen A, Huang J, Wang L, Gregory G, Opat S. Efficacy of Zanubrutinib in the Treatment of Bing-Neel Syndrome. Hemasphere. 2018 Nov 30;2(6):e155. doi: 10.1097/HS9.0000000000000155. eCollection 2018 Dec. PubMed PMID: 31723793; PubMed Central PMCID: PMC6745965.

2: Zou YX, Zhu HY, Li XT, Xia Y, Miao KR, Zhao SS, Wu YJ, Wang L, Xu W, Li JY. The impacts of zanubrutinib on immune cells in patients with chronic lymphocytic leukemia/small lymphocytic lymphoma. Hematol Oncol. 2019 Oct;37(4):392-400. doi: 10.1002/hon.2667. Epub 2019 Sep 13. PubMed PMID: 31420873.

3: Guo Y, Liu Y, Hu N, Yu D, Zhou C, Shi G, Zhang B, Wei M, Liu J, Luo L, Tang Z, Song H, Guo Y, Liu X, Su D, Zhang S, Song X, Zhou X, Hong Y, Chen S, Cheng Z, Young S, Wei Q, Wang H, Wang Q, Lv L, Wang F, Xu H, Sun H, Xing H, Li N, Zhang W, Wang Z, Liu G, Sun Z, Zhou D, Li W, Liu L, Wang L, Wang Z. Discovery of Zanubrutinib (BGB-3111), a Novel, Potent, and Selective Covalent Inhibitor of Bruton's Tyrosine Kinase. J Med Chem. 2019 Sep 12;62(17):7923-7940. doi: 10.1021/acs.jmedchem.9b00687. Epub 2019 Aug 19. PubMed PMID: 31381333.

4: Das M. Zanubrutinib in B-cell malignancies. Lancet Oncol. 2019 Sep;20(9):e470. doi: 10.1016/S1470-2045(19)30523-6. Epub 2019 Aug 1. PubMed PMID: 31378456.

5: Tam CS, Trotman J, Opat S, Burger JA, Cull G, Gottlieb D, Harrup R, Johnston PB, Marlton P, Munoz J, Seymour JF, Simpson D, Tedeschi A, Elstrom R, Yu Y, Tang Z, Han L, Huang J, Novotny W, Wang L, Roberts AW. Phase 1 study of the selective BTK inhibitor zanubrutinib in B-cell malignancies and safety and efficacy evaluation in CLL. Blood. 2019 Sep 12;134(11):851-859. doi: 10.1182/blood.2019001160. Epub 2019 Jul 24. PubMed PMID: 31340982; PubMed Central PMCID: PMC6742923.

6: Flinsenberg TWH, Tromedjo CC, Hu N, Liu Y, Guo Y, Thia KYT, Noori T, Song X, Aw Yeang HX, Tantalo DG, Handunnetti S, Seymour JF, Roberts AW, Ritchie D, Koldej R, Neeson PJ, Wang L, Trapani JA, Tam CS, Voskoboinik I. Differential effects of BTK inhibitors ibrutinib and zanubrutinib on NK cell effector function in patients with mantle cell lymphoma. Haematologica. 2019 Jun 6. pii: haematol.2019.220590. doi: 10.3324/haematol.2019.220590. [Epub ahead of print] PubMed PMID: 31171645.

7: Tam CS. Zanubrutinib: a novel BTK inhibitor in chronic lymphocytic leukemia and non-Hodgkin lymphoma. Clin Adv Hematol Oncol. 2019 Jan;17(1):32-34. PubMed PMID: 30843894.

8: Tarantelli C, Zhang L, Curti E, Gaudio E, Spriano F, Priebe V, Cascione L, Arribas AJ, Zucca E, Rossi D, Stathis A, Bertoni F. The Bruton tyrosine kinase inhibitor zanubrutinib (BGB-3111) demonstrated synergies with other anti-lymphoma targeted agents. Haematologica. 2019 Jul;104(7):e307-e309. doi: 10.3324/haematol.2018.214759. Epub 2019 Jan 24. PubMed PMID: 30679329; PubMed Central PMCID: PMC6601092.

9: Tam CS, LeBlond V, Novotny W, Owen RG, Tedeschi A, Atwal S, Cohen A, Huang J, Buske C. A head-to-head Phase III study comparing zanubrutinib versus ibrutinib in patients with Waldenström macroglobulinemia. Future Oncol. 2018 Sep;14(22):2229-2237. doi: 10.2217/fon-2018-0163. Epub 2018 Jun 5. PubMed PMID: 29869556.

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