5.38763

CD38 Inhibitor

≥98% (HPLC), solid, CD38 inhibitor, Calbiochem^®

• Synonym(s): CD38 Inhibitor, Compound 78c, CD38i_78c, 78c, Cluster of Differentiation 38 Inhibitor
• Empirical Formula (Hill Notation): C₂₂H₂₇N₃O₃S
• CAS Number: 1700637-55-3
• Molecular Weight: 413.53
• MDL number: MFCD32062812
• UNSPSC Code: 12352200
• NACRES: NA.77

Properties

• Product Name: CD38 Inhibitor,
• assay: ≥98% (HPLC)
• Quality Level: 100
• form: solid
• manufacturer/tradename: Calbiochem^®
• storage condition: OK to freeze; protect from light
• color: light brown to brown; white to light brown
• solubility: DMSO: 100 mg/mL
• storage temp.: 2-8°C
• SMILES string: [s]1cncc1c2cc3c(cc2)N(C(=O)C=C3N[C@@H]4CC[C@H](CC4)OCCOC)C
• InChI: 1S/C22H27N3O3S/c1-25-20-8-3-15(21-13-23-14-29-21)11-18(20)19(12-22(25)26)24-16-4-6-17(7-5-16)28-10-9-27-2/h3,8,11-14,16-17,24H,4-7,9-10H2,1-2H3/t16-,17-

Description

General description

A cell-permeable, orally bioavailable, non-toxic thiazolyl-quinolinone derived compound that acts as a potent, selective and reversible inhibitor of CD38 (IC₅₀ = 7.3 & 1.9 nM for human & mouse CD38, respectively; K_i = 0.3 nM for human wt-CD38). Shown to bind to the catalytic active site. Displays attractive PK properties in mice (p.o. 30 mg/kg: t_1/2 = 3.5 h, C_max = 10.8 µg/ml; i.v. 2 mg/kg: t_1/2 = 5.3 h, C_max = 2.98 µg/ml, Cl = 21 ml/min/kg, Vdss = 1.3 L/kg). Rapidly elevates NAD levels by several folds in both liver and gastrocnemius tissue in a diet induced obese mouse (30 mg/kg, p.o.).

Biochem/physiol Actions

Cell permeable: yes

Primary Target
CD38

Reversible: yes

Target IC₅₀: 7.3 & 1.9 nM for human & mouse CD38, respectively

Packaging

Packaged under inert gas

Warning

Toxicity: Standard Handling (A)

Other Notes

Haffner, C.D., et al. 2015. J. Med. Chem.58, 3548.
Tarrago, M.G., et al. 2018 Cell. Metab.27, 1081.

Legal Information

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Storage Class: 11 - Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable