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CMI977

CAT: 0931-T14986-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T14986-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
175212-04-1
Target
Others, Lipoxygenase
Related Pathways
Metabolism, Others
Bioactivity
CMI977 is a potent inhibitor of 5-Lipoxygenase (5-LO) .
Smiles
C(OC1=CC=C(F)C=C1)[C@H]2O[C@H](C#CCCN(C(N)=O)O)CC2
Molecular Formula
C16H19FN2O4
Molecular Weight
322.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Mln-977

MLN-977 is a small molecule compound that inhibits the production of leukotrienes, especially 5-lipoxygenase. It is developed by PharmaEngine to treat asthma and chronic obstructive pulmonary disease.

CAS Number175212-04-1
PubChem CID9905233
IUPAC Name1-[4-[(2S,5S)-5-[(4-fluorophenoxy)methyl]oxolan-2-yl]but-3-ynyl]-1-hydroxyurea
Molecular FormulaC16H19FN2O4
Molecular Weight322.33
XLogP1.4
Topological Polar Surface Area85
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity453
SMILES
C1C[C@H](O[C@@H]1COC2=CC=C(C=C2)F)C#CCCN(C(=O)N)O
InChI
InChI=1S/C16H19FN2O4/c17-12-4-6-13(7-5-12)22-11-15-9-8-14(23-15)3-1-2-10-19(21)16(18)20/h4-7,14-15,21H,2,8-11H2,(H2,18,20)/t14-,15+/m1/s1
InChIKey
YANONWCPCKIWEC-CABCVRRESA-N
Chemical Structure
2D Structure
2D structure of Mln-977
CAS: 175212-04-1
CID: 9905233
Formula: C16H19FN2O4
MW: 322.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight322.33
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass322.13288525
Monoisotopic Mass322.13288525
Topological Polar Surface Area85 Ų
Heavy Atom Count23
Formal Charge0
Complexity453
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
AHA21204CMI977

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