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NB-7

CAT: 0804-HY-203012Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-203012Size:1 Each
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NB-7 (example 12) is a potent and orally active SARM1 inhibitor with an IC50 [1].
CAS Number
2665712-31-0
UNSPSC
12352005
Target
Toll-like Receptor (TLR)
Related Pathways
Immunology/Inflammation
Field of Research
Neurological Disease
Smiles
O=C(NC1=C(C)C(C2=CC=NC=C2)=NN1)CCC3=CC=C(Cl)C=C3
Molecular Formula
C18H17ClN4O
Molecular Weight
340.81
References & Citations
[1]Jennifer A K, et al. Substituted pyridine derivatives as sarm1 inhibitors. WO2022031736A1. 2022-02-10.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

3-(4-Chlorophenyl)-N-(4-methyl-3-(pyridin-4-YL)-1H-pyrazol-5-YL)propanamide
CAS Number2665712-31-0
PubChem CID164890234
IUPAC Name3-(4-chlorophenyl)-N-(4-methyl-5-pyridin-4-yl-1H-pyrazol-3-yl)propanamide
Molecular FormulaC18H17ClN4O
Molecular Weight340.8
XLogP3.2
Topological Polar Surface Area70.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count24
Formal Charge0
Complexity408
SMILES
CC1=C(NN=C1NC(=O)CCC2=CC=C(C=C2)Cl)C3=CC=NC=C3
InChI
InChI=1S/C18H17ClN4O/c1-12-17(14-8-10-20-11-9-14)22-23-18(12)21-16(24)7-4-13-2-5-15(19)6-3-13/h2-3,5-6,8-11H,4,7H2,1H3,(H2,21,22,23,24)
InChIKey
YPBDFUFBFVQJPF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(4-Chlorophenyl)-N-(4-methyl-3-(pyridin-4-YL)-1H-pyrazol-5-YL)propanamide
CAS: 2665712-31-0
CID: 164890234
Formula: C18H17ClN4O
MW: 340.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight340.8
XLogP33.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass340.1090889
Monoisotopic Mass340.1090889
Topological Polar Surface Area70.7 Ų
Heavy Atom Count24
Formal Charge0
Complexity408
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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