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ND-378

CAT: 0804-HY-124341Size: 1 EachDry Ice: NoHazardous: No
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Description
ND-378 is a potent and selective inhibitor of matrix metalloproteinases (MMP-2) with a Ki value of 230 nM. ND-378 can be used to study spinal cord injury (SCI) [1].
CAS Number
1807453-72-0
UNSPSC
12352005
Target
MMP
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/nd-378.html
Smiles
O=C(C)NCC1=CC=C(C=C1)OC2=CC=C(S(=O)(CC3SC3)=O)C=C2
Molecular Formula
C18H19NO4S2
Molecular Weight
377.48
References & Citations
[1]Gao M, et al. Selective Inhibition of MMP-2 Does Not Alter Neurological Recovery after Spinal Cord Injury. ACS Chem Neurosci. 2016 Nov 16;7 (11) :1482-1487.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

CID 118335689
CAS Number1807453-72-0
PubChem CID118335689
IUPAC NameN-[[4-[4-(thiiran-2-ylmethylsulfonyl)phenoxy]phenyl]methyl]acetamide
Molecular FormulaC18H19NO4S2
Molecular Weight377.5
XLogP2.3
Topological Polar Surface Area106
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count25
Formal Charge0
Complexity544
SMILES
CC(=O)NCC1=CC=C(C=C1)OC2=CC=C(C=C2)S(=O)(=O)CC3CS3
InChI
InChI=1S/C18H19NO4S2/c1-13(20)19-10-14-2-4-15(5-3-14)23-16-6-8-18(9-7-16)25(21,22)12-17-11-24-17/h2-9,17H,10-12H2,1H3,(H,19,20)
InChIKey
AQVLOPBRNWYJSU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of CID 118335689
CAS: 1807453-72-0
CID: 118335689
Formula: C18H19NO4S2
MW: 377.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.5
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass377.07555043
Monoisotopic Mass377.07555043
Topological Polar Surface Area106 Ų
Heavy Atom Count25
Formal Charge0
Complexity544
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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