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CD38 inhibitor 1

CAT: 0804-HY-123999-01Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-123999-01Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
CD38 inhibitor 1 (compound 78c) is a potent CD38 inhibitor with IC50s of 7.3 nM and 1.9 nM for hCD38 and mouse CD38[1].
CAS Number
1700637-55-3
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
CD38
Type
Reference compound
Related Pathways
Immunology/Inflammation
Applications
Metabolism-protein/nucleotide metabolism
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/cd38-inhibitor-1.html
Purity
99.83
Solubility
DMSO : 25 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
O=C1N(C)C2=C(C=C(C3=CN=CS3)C=C2)C(N[C@H]4CC[C@H](OCCOC)CC4)=C1
Molecular Formula
C22H27N3O3S
Molecular Weight
413.53
Precautions
H302, H315, H319, H335
References & Citations
[1]Haffner CD, et al. Discovery, Synthesis, and Biological Evaluation of Thiazoloquin (az) olin (on) es as Potent CD38 Inhibitors. J Med Chem. 2015 Apr 23;58 (8) :3548-71.|[2]Tarragó MG, Chini CCS, Kanamori KS, et al. A Potent and Specific CD38 Inhibitor Ameliorates Age-Related Metabolic Dysfunction by Reversing Tissue NAD+ Decline. Cell Metab. 2018;27 (5) :1081-1095.e10.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

CD38 inhibitor 1
CAS Number1700637-55-3
PubChem CID118736856
IUPAC Name4-[[4-(2-methoxyethoxy)cyclohexyl]amino]-1-methyl-6-(1,3-thiazol-5-yl)quinolin-2-one
Molecular FormulaC22H27N3O3S
Molecular Weight413.5
XLogP3
Topological Polar Surface Area91.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Heavy Atom Count29
Formal Charge0
Complexity594
SMILES
CN1C2=C(C=C(C=C2)C3=CN=CS3)C(=CC1=O)NC4CCC(CC4)OCCOC
InChI
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
InChIKey
VJQALSOBHVEJQM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CD38 inhibitor 1
CAS: 1700637-55-3
CID: 118736856
Formula: C22H27N3O3S
MW: 413.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight413.5
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count7
Exact Mass413.17731291
Monoisotopic Mass413.17731291
Topological Polar Surface Area91.9 Ų
Heavy Atom Count29
Formal Charge0
Complexity594
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

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B8752-10CD38 inhibitor 1
T79732-01CD38 inhibitor 3
bs-7221C-01CD38 inhibitor 78c
T61681-01CD38 inhibitor 2
A19032-100CD38 inhibitor 1 100mg
A19032-5CD38 inhibitor 1 5mg
A19032-1CD38 inhibitor 1 1mg
A19032-50CD38 inhibitor 1 50mg
A19032-25CD38 inhibitor 1 25mg
A19032-10CD38 inhibitor 1 10mg

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