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Otaplimastat HCl

CAT: 0931-T24817L-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-T24817L-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1176758-02-3
Target
MMP, NMDAR
Related Pathways
Proteases/Proteasome, Neuroscience
Purity
1
Bioactivity
Otaplimastat HCl is a matrix metalloproteinase (MMP) inhibitor that blocks NMDA receptor-mediated excitotoxicity competitively and exhibits antioxidant activity, In oxygen-glucose-deprived endothelial cells, otaplimastat suppressed the activity rather than protein expression of MMPs by restoring the level of tissue inhibitor of metalloproteinase (TIMP) suppressed in ischemia, and consequently reduced vascular permeation. serving as a tool for research into brain ischemic injury and neuroprotection.
Smiles
Cl.O=C1NC=2C=CC=CC2C(=O)N1CCCNCCCCN(C(=O)C)CCCN3C(=O)NC=4C=CC=CC4C3=O
Molecular Formula
C28H35ClN6O5
Molecular Weight
571.07
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

N-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide;hydrochloride
CAS Number1176758-02-3
PubChem CID142700135
IUPAC NameN-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide;hydrochloride
Molecular FormulaC28H35ClN6O5
Molecular Weight571.1
Topological Polar Surface Area131
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Heavy Atom Count40
Formal Charge0
Complexity913
SMILES
CC(=O)N(CCCCNCCCN1C(=O)C2=CC=CC=C2NC1=O)CCCN3C(=O)C4=CC=CC=C4NC3=O.Cl
InChI
InChI=1S/C28H34N6O5.ClH/c1-20(35)32(17-9-19-34-26(37)22-11-3-5-13-24(22)31-28(34)39)16-7-6-14-29-15-8-18-33-25(36)21-10-2-4-12-23(21)30-27(33)38;/h2-5,10-13,29H,6-9,14-19H2,1H3,(H,30,38)(H,31,39);1H
InChIKey
UMOYTHLNRMOFEG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[3-(2,4-dioxo-1H-quinazolin-3-yl)propyl]-N-[4-[3-(2,4-dioxo-1H-quinazolin-3-yl)propylamino]butyl]acetamide;hydrochloride
CAS: 1176758-02-3
CID: 142700135
Formula: C28H35ClN6O5
MW: 571.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight571.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count13
Exact Mass570.2357459
Monoisotopic Mass570.2357459
Topological Polar Surface Area131 Ų
Heavy Atom Count40
Formal Charge0
Complexity913
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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