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MIV-6R

CAT: 0804-HY-12625A-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-12625A-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
MIV-6R is an optimized small molecule inhibitor of menin-mixed lineage leukemia (MLL) interaction with IC50 = 56 nM, and its specific mechanism of action activity has been validated in MLL leukemia cells.
CAS Number
1560968-55-9
UNSPSC
12352005
Target
Others
Type
Reference compound
Related Pathways
Others
Field of Research
Others
Assay Protocol
https://www.medchemexpress.com/miv-6r.html
Smiles
N#CC1=CC=C(OCCCN2CCC([C@@](C3CCCC3)(N)C4=CC=CC=C4)CC2)C=C1
Molecular Formula
C27H35N3O
Molecular Weight
417.59
References & Citations
[1]High-affinity small-molecule inhibitors of the menin-mixed lineage leukemia (MLL) interaction closely mimic a natural protein-protein interaction
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-(3-{4-[(R)-Amino(Cyclopentyl)phenylmethyl]piperidin-1-Yl}propoxy)benzonitrile
CAS Number1560968-55-9
PubChem CID71777747
IUPAC Name4-[3-[4-[(R)-amino-cyclopentyl-phenylmethyl]piperidin-1-yl]propoxy]benzonitrile
Molecular FormulaC27H35N3O
Molecular Weight417.6
XLogP5
Topological Polar Surface Area62.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Heavy Atom Count31
Formal Charge0
Complexity573
SMILES
C1CCC(C1)[C@@](C2CCN(CC2)CCCOC3=CC=C(C=C3)C#N)(C4=CC=CC=C4)N
InChI
InChI=1S/C27H35N3O/c28-21-22-11-13-26(14-12-22)31-20-6-17-30-18-15-25(16-19-30)27(29,24-9-4-5-10-24)23-7-2-1-3-8-23/h1-3,7-8,11-14,24-25H,4-6,9-10,15-20,29H2/t27-/m1/s1
InChIKey
AUWUGRCKTQSGJY-HHHXNRCGSA-N
Chemical Structure
2D Structure
2D structure of 4-(3-{4-[(R)-Amino(Cyclopentyl)phenylmethyl]piperidin-1-Yl}propoxy)benzonitrile
CAS: 1560968-55-9
CID: 71777747
Formula: C27H35N3O
MW: 417.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight417.6
XLogP35
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count8
Exact Mass417.278012748
Monoisotopic Mass417.278012748
Topological Polar Surface Area62.3 Ų
Heavy Atom Count31
Formal Charge0
Complexity573
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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