Products for Research Use Only

MI 658

CAT: 0013-GTR19193547-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193547-01Size:50 mg
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Description
MI 658 is a small molecule inhibitor that disrupts development in Neurospora crassa by targeting inositol metabolism, leading to the compensatory upregulation of myo-inositol-1-phosphate synthase. This compound is a valuable research tool for studying fungal biology, inositol biosynthesis pathways, and gene regulation in both in vivo and in vitro experimental systems.
CAS Number
90146-07-9
Smiles
O (C (=O) C1=CC=CC=C1) [C@H]2[C@H] (N=[N+]=[N-]) C[C@@H] (O) CC2=O
Molecular Formula
C13H13N3O4
Molecular Weight
275.26
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

MI 658

interfers with the development & induces increased synthesis of myo-inositol synthetase in Neurospora crassa

CAS Number90146-07-9
PubChem CID128984
IUPAC Name[(1S,2R,4R)-2-azido-4-hydroxy-6-oxocyclohexyl] benzoate
Molecular FormulaC13H13N3O4
Molecular Weight275.26
XLogP2
Topological Polar Surface Area78
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count20
Formal Charge0
Complexity427
SMILES
C1[C@H](CC(=O)[C@H]([C@@H]1N=[N+]=[N-])OC(=O)C2=CC=CC=C2)O
InChI
InChI=1S/C13H13N3O4/c14-16-15-10-6-9(17)7-11(18)12(10)20-13(19)8-4-2-1-3-5-8/h1-5,9-10,12,17H,6-7H2/t9-,10-,12+/m1/s1
InChIKey
QETWIHYFLBMVCZ-FOGDFJRCSA-N
Chemical Structure
2D Structure
2D structure of MI 658
CAS: 90146-07-9
CID: 128984
Formula: C13H13N3O4
MW: 275.26
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight275.26
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass275.09060590
Monoisotopic Mass275.09060590
Topological Polar Surface Area78 Ų
Heavy Atom Count20
Formal Charge0
Complexity427
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes