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Compound SA91-0178

CAT: 0013-GTR19257591-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19257591-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
SA91-0178 (3-{[ (1-methyl-2-oxo-1'-phenyl-1,2-dihydrospiro[indole-3,4'-piperidine]-5-carbonyl) amino]methyl}benzoic acid) is a specific METTL1 inhibitor and effectively alleviated tissue injury during septic inflammation.
CAS Number
2244341-81-7
Field of Research
Epigenetics & Chromatin, Pharmacology & Drug Discovery
Smiles
O=C (O) C1=CC=CC (CNC (C2=CC=C (N (C) C (C34CCN (C5=CC=CC=C5) CC4) =O) C3=C2) =O) =C1
Molecular Formula
C28H27N3O4
Molecular Weight
469.54
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-({[(1-Methyl-2-oxo-1'-phenyl-1,2-dihydrospiro[indole-3,4'-piperidin]-5-YL)carbonyl]amino}methyl)benzoic acid
CAS Number2244341-81-7
PubChem CID137961299
IUPAC Name3-[[(1-methyl-2-oxo-1'-phenylspiro[indole-3,4'-piperidine]-5-carbonyl)amino]methyl]benzoic acid
Molecular FormulaC28H27N3O4
Molecular Weight469.5
XLogP3.4
Topological Polar Surface Area90
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count35
Formal Charge0
Complexity802
SMILES
CN1C2=C(C=C(C=C2)C(=O)NCC3=CC(=CC=C3)C(=O)O)C4(C1=O)CCN(CC4)C5=CC=CC=C5
InChI
InChI=1S/C28H27N3O4/c1-30-24-11-10-20(25(32)29-18-19-6-5-7-21(16-19)26(33)34)17-23(24)28(27(30)35)12-14-31(15-13-28)22-8-3-2-4-9-22/h2-11,16-17H,12-15,18H2,1H3,(H,29,32)(H,33,34)
InChIKey
ABKWGUHBAKVSKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-({[(1-Methyl-2-oxo-1'-phenyl-1,2-dihydrospiro[indole-3,4'-piperidin]-5-YL)carbonyl]amino}methyl)benzoic acid
CAS: 2244341-81-7
CID: 137961299
Formula: C28H27N3O4
MW: 469.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.5
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass469.20015635
Monoisotopic Mass469.20015635
Topological Polar Surface Area90 Ų
Heavy Atom Count35
Formal Charge0
Complexity802
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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