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Necrosulfonamide 10mg

CAT: 0628-A16334-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0628-A16334-10Size:10 mg
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CAS Number
1360614-48-7

Chemical Information

Necrosulfonamide

Necrosulfonamide is a sulfonamide that is a 3-methoxypyrazin-2-yl derivative of (E)-N-(4-(N-(4,6-dimethylpyrimidin-2-yl)sulfamoyl)phenyl)-3-(5-nitrothiophene-2-yl)acrylamide. Necrosulfonamide specifically blocks necrosis downstream of the activation of RIP3 (the receptor-interacting serine-threonine kinase 3), a key signalling molecule in the programmed necrosis (necroptosis) pathway. It has a role as a necroptosis inhibitor and a neuroprotective agent. It is a member of thiophenes, a sulfonamide and a member of pyrazines.

CAS Number1360614-48-7
PubChem CID1566236
IUPAC Name(E)-N-[4-[(3-methoxypyrazin-2-yl)sulfamoyl]phenyl]-3-(5-nitrothiophen-2-yl)prop-2-enamide
Molecular FormulaC18H15N5O6S2
Molecular Weight461.5
XLogP2.5
Topological Polar Surface Area193
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity760
SMILES
COC1=NC=CN=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=O)/C=C/C3=CC=C(S3)[N+](=O)[O-]
InChI
InChI=1S/C18H15N5O6S2/c1-29-18-17(19-10-11-20-18)22-31(27,28)14-6-2-12(3-7-14)21-15(24)8-4-13-5-9-16(30-13)23(25)26/h2-11H,1H3,(H,19,22)(H,21,24)/b8-4+
InChIKey
FNPPHVLYVGMZMZ-XBXARRHUSA-N
Chemical Structure
2D Structure
2D structure of Necrosulfonamide
CAS: 1360614-48-7
CID: 1566236
Formula: C18H15N5O6S2
MW: 461.5
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight461.5
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass461.04637556
Monoisotopic Mass461.04637556
Topological Polar Surface Area193 Ų
Heavy Atom Count31
Formal Charge0
Complexity760
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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