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NMDI14

CAT: 0013-GTR19155331-09Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19155331-09Size:100 mg
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Description
NMDI14 is an inhibitor of nonsense mediated RNA decay (NMD) .
CAS Number
307519-88-6
Purity
>98% (HPLC)
Solubility
DMSO:25 mg/mL (60.17 mM)
Smiles
CCOC (=O) C1=C (SC (=C1C) C) NC (=O) CC2C (=O) NC3=C (N2) C=C (C (=C3) C) C
Molecular Formula
C21H25N3O4S
Molecular Weight
415.51
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

Ethyl 2-{[(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate

NMDI14 is a quinoxaline derivative that is 6,7-dimethyl-1,2,3,4-tetrahydroquinoxaline substituted by 2-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]amino}-2-oxoethyl and oxo groups at positions 2 and 3, respectively. It is a nonsense-mediated mRNA decay (NMD) inhibitor. It is a secondary carboxamide, an ethyl ester, a member of thiophenes and a quinoxaline derivative.

CAS Number307519-88-6
PubChem CID2886617
IUPAC Nameethyl 2-[[2-(6,7-dimethyl-3-oxo-2,4-dihydro-1H-quinoxalin-2-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
Molecular FormulaC21H25N3O4S
Molecular Weight415.5
XLogP4
Topological Polar Surface Area125
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count29
Formal Charge0
Complexity645
SMILES
CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC2C(=O)NC3=C(N2)C=C(C(=C3)C)C
InChI
InChI=1S/C21H25N3O4S/c1-6-28-21(27)18-12(4)13(5)29-20(18)24-17(25)9-16-19(26)23-15-8-11(3)10(2)7-14(15)22-16/h7-8,16,22H,6,9H2,1-5H3,(H,23,26)(H,24,25)
InChIKey
QRLPSNLBUMVXBL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 2-{[(6,7-dimethyl-3-oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)acetyl]amino}-4,5-dimethylthiophene-3-carboxylate
CAS: 307519-88-6
CID: 2886617
Formula: C21H25N3O4S
MW: 415.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight415.5
XLogP34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass415.15657746
Monoisotopic Mass415.15657746
Topological Polar Surface Area125 Ų
Heavy Atom Count29
Formal Charge0
Complexity645
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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A12958-25NMDI14 25mg
A12958-5NMDI14 5mg
A12958-2NMDI14 2mg

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