BTK inhibitor 1 (Compound 27) - ≥97% , CAS No.2230724-66-8

CAS: 2230724-66-8 Cat. No.: B414111 Molecular Weight: 474.49

GRADE & PURITY ≥97%

Synonyms

5-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Information

BTK inhibitor 1 (Compound 27) BTK inhibitor 1 (compound 27) is an inhibitor of BTK with an IC50 of 0.11 nM for Btk and inhibits B cell activation in hWB with an IC50 of 2 nM.

Targets

BTK (Cell-free assay) 0.11 nM

Specifications

Synonyms

5-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2, 3-d]pyrimidin-4-yl]phenyl]methyl]-1, 2, 4-oxadiazole-3-carboxamide

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

BTK inhibitor 1 (compound 27) is an inhibitor of BTK with an IC50 of 0.11 nM for Btk and inhibits B cell activation in hWB with an IC50 of 2 nM.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Product Properties

• ALogP: 3.626
• hba_count: 7
• HBD Count: 2
• Rotatable Bond: 6

Names and Identifiers

• Canonical Smiles: CC(C)(C)C1=NC(=NO1)C(=O)NCC2=C(C=C(C=C2)C3=C4C=C(NC4=NC=N3)C5=CN(N=C5)C)F
• IUPAC Name: 5-tert-butyl-N-[[2-fluoro-4-[6-(1-methylpyrazol-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]methyl]-1,2,4-oxadiazole-3-carboxamide
• InChIKey: XRNHJQXCSOAXLV-UHFFFAOYSA-N
• INCHI: 1S/C24H23FN8O2/c1-24(2,3)23-31-21(32-35-23)22(34)26-9-14-6-5-13(7-17(14)25)19-16-8-18(15-10-29-33(4)11-15)30-20(16)28-12-27-19/h5-8,10-12H,9H2,1-4H3,(H,26,34)(H,27,28,30)
• Isomeric SMILES: CC(C)(C)C1=NC(=NO1)C(=O)NCC2=C(C=C(C=C2)C3=C4C=C(NC4=NC=N3)C5=CN(N=C5)C)F
• Molecular Weight: 474.49
• Reaxy-Rn: 42314298
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=42314298&ln=

Chemical and Physical Properties

• Solubility: Solubility (25°C) In vitro DMSO: 95 mg/mL (200.21 mM); Water: Insoluble; Ethanol: Insoluble
• DMSO(mg / mL) Max Solubility: 95
• DMSO(mM) Max Solubility: 200.214967649476
• Water(mg / mL) Max Solubility: ＜1