ARQ 531

CAT: 0013-GTR19175218-02Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19175218-02Size:5 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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Description

ARQ 531

CAS Number

2095393-15-8

Product Name Alternative

ARQ 531, ARQ531, ARQ-531, Btk, C481S-BTK, Bruton tyrosine kinase, inhibit, MK1026, MK-1026, MK 1026, Inhibitor, WT-BTK

Field of Research

Cardiovascular Research, Signal Transduction

Purity

98.68% (May vary between batches)

Solubility

10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (4.18 mM) ; DMSO:50 mg/mL (104.4 mM)

Smiles

OC[C@@H]1CC[C@H] (CO1) Nc1ncnc2[nH]cc (C (=O) c3ccc (Oc4ccccc4) cc3Cl) c12

Molecular Formula

C25H23ClN4O4

Molecular Weight

478.93

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

Nemtabrutinib

Nemtabrutinib is under investigation in clinical trial NCT05624554 (A Study of Nemtabrutinib vs Chemoimmunotherapy for Participants With Previously Untreated Chronic Lymphocytic Leukemia/small Lymphocytic Lymphoma (CLL/SLL) Without TP53 Aberrations (MK-1026-008, BELLWAVE-008)).

CAS Number	2095393-15-8
PubChem CID	129045720
IUPAC Name	(2-chloro-4-phenoxyphenyl)-[4-[[(3R,6S)-6-(hydroxymethyl)oxan-3-yl]amino]-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
Molecular Formula	C25H23ClN4O4
Molecular Weight	478.9
XLogP	4.3
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Heavy Atom Count	34
Formal Charge	0
Complexity	681

SMILES

C1C[C@H](OC[C@@H]1NC2=NC=NC3=C2C(=CN3)C(=O)C4=C(C=C(C=C4)OC5=CC=CC=C5)Cl)CO

InChI

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

InChIKey

JSFCZQSJQXFJDS-QAPCUYQASA-N

Chemical Structure

2D Structure

CAS: 2095393-15-8

CID: 129045720

Formula: C25H23ClN4O4

MW: 478.9

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	478.9
XLogP3	4.3
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	7
Exact Mass	478.1407829
Monoisotopic Mass	478.1407829
Topological Polar Surface Area	109 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	681
Isotope Atom Count	0
Defined Atom Stereocenter Count	2
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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