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NMS-873

CAT: 0607-B2168-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B2168-50Size:50 mg
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Description
VCP/p97 inhibitor,selective and allosteric
CAS Number
1418013-75-8
Product Name Alternative
3-[3-cyclopentylsulfanyl-5-[[3-methyl-4-(4-methylsulfonylphenyl)phenoxy]methyl]-1,2,4-triazol-4-yl]pyridine
Field of Research
Ubiquitination Proteasome p97
Purity
0.9972
Form
A solid
Solubility
insoluble in H2O; ≥17.1 mg/mL in DMSO; ≥2.54 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
CC1=C(C=CC(=C1)OCC2=NN=C(N2C3=CN=CC=C3)SC4CCCC4)C5=CC=C(C=C5)S(=O)(=O)C
Molecular Formula
C27H28N4O3S2
Molecular Weight
520.67
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

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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HY-15713-01NMS-873
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A12377-25NMS-873 25mg
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A12377-50NMS-873 50mg

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