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5.38763

CD38 Inhibitor

Name: CD38 Inhibitor
Brand: MM

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

Synonym(s):

CD38 Inhibitor, Compound 78c, CD38i_78c, 78c, Cluster of Differentiation 38 Inhibitor

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About This Item

Empirical Formula (Hill Notation):

C₂₂H₂₇N₃O₃S

CAS Number:

1700637-55-3

Molecular Weight:

413.53

MDL number:

MFCD32062812

UNSPSC Code:

12352200

NACRES:

NA.77

Assay:

≥98% (HPLC)

Form:

solid

Quality level:

100

Storage condition:

OK to freeze, protect from light

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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-

InChI key

VJQALSOBHVEJQM-QAQDUYKDSA-N

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

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

Disclaimer

Toxicity: Standard Handling (A)

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c