Elsubrutinib | CAS# 1643570-24-4 | BTK Inhibitor

MedKoo Cat#: 573889 | Name: Elsubrutinib

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Description:

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

Elsubrutinib, also known as ABBV-105 and WHO 11113, is a selective and irreversible inhibitor of Bruton's tyrosine kinase, is efficacious in multiple preclinical models of inflammation. ABBV-105 irreversibly inhibits BTK, demonstrating superior kinome selectivity and is potent in B cell receptor, Fc receptor, and TLR-9-dependent cellular assays. Oral administration resulted in rapid clearance in plasma, but maintenance of BTK splenic occupancy. ABBV-105 inhibited antibody responses to thymus-independent and thymus-dependent antigens, paw swelling and bone destruction in rat collagen induced arthritis, and reduced disease in an IFNα-accelerated lupus nephritis model. BTK occupancy in disease models correlated with in vivo efficacy.

Chemical Structure

Elsubrutinib

CAS#1643570-24-4

Theoretical Analysis

MedKoo Cat#: 573889

Name: Elsubrutinib

CAS#: 1643570-24-4

Chemical Formula: C17H19N3O2

Exact Mass: 297.1477

Molecular Weight: 297.36

Elemental Analysis: C, 68.67; H, 6.44; N, 14.13; O, 10.76

Price and Availability

Size	Price	Availability	Quantity
5mg	USD 750.00	2 Weeks

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Synonym

Elsubrutinib; ABBV-105; ABBV105; ABBV 105; WHO 11113; WHO 11113; WHO11113;

IUPAC/Chemical Name

4-[(3S)-1-(prop-2-enoyl)piperidin-3-yl]-1H-indole-7-carboxamide

InChi Key

UNHZLHSLZZWMNP-LLVKDONJSA-N

InChi Code

InChI=1S/C17H19N3O2/c1-2-15(21)20-9-3-4-11(10-20)12-5-6-14(17(18)22)16-13(12)7-8-19-16/h2,5-8,11,19H,1,3-4,9-10H2,(H2,18,22)/t11-/m1/s1

SMILES Code

O=C(C1=CC=C([C@H]2CN(C(C=C)=O)CCC2)C3=C1NC=C3)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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 297.36 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

1: Goess C, Harris CM, Murdock S, McCarthy RW, Sampson E, Twomey R, Mathieu S, Mario R, Perham M, Goedken ER, Long AJ. ABBV-105, a selective and irreversible inhibitor of Bruton's tyrosine kinase, is efficacious in multiple preclinical models of inflammation. Mod Rheumatol. 2019 May;29(3):510-522. doi: 10.1080/14397595.2018.1484269. Epub 2018 Jul 23. Erratum in: Mod Rheumatol. 2019 May;29(3):v. PMID: 29862859. 2. Thompson PA, Burger JA. Bruton's tyrosine kinase inhibitors: first and second generation agents for patients with Chronic Lymphocytic Leukemia (CLL). Expert Opin Investig Drugs. 2018 Jan;27(1):31-42. doi: 10.1080/13543784.2018.1404027. Epub 2017 Nov 15. Review. PubMed PMID: 29125406. 3: Molina-Cerrillo J, Alonso-Gordoa T, Gajate P, Grande E. Bruton's tyrosine kinase (BTK) as a promising target in solid tumors. Cancer Treat Rev. 2017 Jul;58:41-50. doi: 10.1016/j.ctrv.2017.06.001. Epub 2017 Jun 9. Review. PubMed PMID: 28641100. 4: Aw A, Brown JR. Current Status of Bruton's Tyrosine Kinase Inhibitor Development and Use in B-Cell Malignancies. Drugs Aging. 2017 Jul;34(7):509-527. doi: 10.1007/s40266-017-0468-4. Review. PubMed PMID: 28536906. 5: Burger JA. Bruton's tyrosine kinase (BTK) inhibitors in clinical trials. Curr Hematol Malig Rep. 2014 Mar;9(1):44-9. doi: 10.1007/s11899-013-0188-8. Review. PubMed PMID: 24357428.