MedKoo Cat#: 206974 | Name: Nemtabrutinib
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Description:

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

Nemtabrutinib , also known as ARQ-531 and MK-1026, is a potent and orally active BTK inhibitor with potential antineoplastic activity. Upon administration, ARQ-531 non-covalently binds to and inhibits the activity of both the wild-type and the C481S mutated form of BTK, a resistance mutation in the BTK active site in which cysteine is substituted for serine at residue 481. This prevents the activation of the B-cell antigen receptor (BCR) signaling pathway and BTK-mediated activation of downstream survival pathways. This leads to an inhibition of the growth of malignant B cells that overexpress BTK.

Chemical Structure

Nemtabrutinib
Nemtabrutinib
CAS#2095393-15-8

Theoretical Analysis

MedKoo Cat#: 206974

Name: Nemtabrutinib

CAS#: 2095393-15-8

Chemical Formula: C25H23ClN4O4

Exact Mass: 478.1408

Molecular Weight: 478.93

Elemental Analysis: C, 62.70; H, 4.84; Cl, 7.40; N, 11.70; O, 13.36

Price and Availability

Size Price Availability Quantity
25mg USD 250.00 2 Weeks
50mg USD 450.00 2 Weeks
100mg USD 750.00 2 Weeks
200mg USD 1,150.00 2 Weeks
500mg USD 1,950.00 2 Weeks
1g USD 3,250.00 2 Weeks
2g USD 5,650.00 2 Weeks
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Synonym
ARQ-531; ARQ531; ARQ 531; nemtabrutinib; Nemtabrutinib; MK-1026; MK1026; MK1026;
IUPAC/Chemical Name
(2-chloro-4-phenoxyphenyl)(4-(((3R,6S)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl)methanone
InChi Key
JSFCZQSJQXFJDS-QAPCUYQASA-N
InChi Code
InChI=1S/C25H23ClN4O4/c26-21-10-17(34-16-4-2-1-3-5-16)8-9-19(21)23(32)20-11-27-24-22(20)25(29-14-28-24)30-15-6-7-18(12-31)33-13-15/h1-5,8-11,14-15,18,31H,6-7,12-13H2,(H2,27,28,29,30)/t15-,18+/m1/s1
SMILES Code
O=C(C1=CC=C(OC2=CC=CC=C2)C=C1Cl)C3=CNC4=NC=NC(N[C@H]5CO[C@H](CO)CC5)=C43
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
Compared to other BTK inhibitors, ARQ 531 does not require interaction with the BTK C481 site and inhibits the proliferation of cells harboring the BTK C481S mutation. BTK, a member of the Src-related BTK/Tec family of cytoplasmic tyrosine kinases, is overexpressed or mutated in B-cell malignancies; it plays an important role in the development, activation, signaling, proliferation and survival of B lymphocytes.

Preparing Stock Solutions

The following data is based on the product molecular weight 478.93 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