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NMS-873

CAT: 0013-GTR19177966-06Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19177966-06Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
NMS-873 is a selective, allosteric inhibitor of the VCP/p97 ATPase. It is a valuable research tool used in vitro and in vivo to study protein homeostasis, ER-associated degradation (ERAD), and its role in cancer and neurodegenerative diseases.
CAS Number
1418013-75-8
Product Name Alternative
VCP, Cdc48, Inhibitor, inhibit, p97, NMS 873, NMS873, NMS-873
Field of Research
Neuroscience, Protein Biochemistry
Purity
99.05% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:2 mg/mL (3.84 mM) ; DMSO:245 mg/mL (470.55 mM)
Smiles
Cc1cc (OCc2nnc (SC3CCCC3) n2-c2cccnc2) ccc1-c1ccc (cc1) S (C) (=O) =O
Molecular Formula
C27H28N4O3S2
Molecular Weight
520.67
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Nms-873

NMS-873 is an organic molecular entity. It has a role as an EC 3.6.4.* (hydrolases acting on ATP; involved in cellular and subcellular movement) inhibitor.

CAS Number1418013-75-8
PubChem CID71521142
IUPAC Name3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine
Molecular FormulaC27H28N4O3S2
Molecular Weight520.7
XLogP4.9
Topological Polar Surface Area121
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count36
Formal Charge0
Complexity795
SMILES
CC1=C(C=CC(=C1)OCC2=NN=C(N2C3=CN=CC=C3)SC4CCCC4)C5=CC=C(C=C5)S(=O)(=O)C
InChI
InChI=1S/C27H28N4O3S2/c1-19-16-22(11-14-25(19)20-9-12-24(13-10-20)36(2,32)33)34-18-26-29-30-27(35-23-7-3-4-8-23)31(26)21-6-5-15-28-17-21/h5-6,9-17,23H,3-4,7-8,18H2,1-2H3
InChIKey
UJGTUKMAJVCBIS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nms-873
CAS: 1418013-75-8
CID: 71521142
Formula: C27H28N4O3S2
MW: 520.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.7
XLogP34.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass520.16028312
Monoisotopic Mass520.16028312
Topological Polar Surface Area121 Ų
Heavy Atom Count36
Formal Charge0
Complexity795
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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