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MI-1

CAT: 0804-HY-111937Size: 1 EachDry Ice: NoHazardous: No
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CAT#:0804-HY-111937Size:1 Each
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Description
MI-1 inhibits Menin-MLL interaction with an IC50 of 1.9 μM[1].
CAS Number
433311-07-0
UNSPSC
12352005
Hazard Statement
H302-H315-H319-H335
Target
Epigenetic Reader Domain
Type
Reference compound
Related Pathways
Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/mi-1.html
Solubility
10 mM in DMSO
Smiles
CC1(C)CN=C(N2CCN(C3=C(C4=C(CCCC4)S5)C5=NC=N3)CC2)S1
Molecular Formula
C19H25N5S2
Molecular Weight
387.57
Precautions
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
References & Citations
[1]Vedadi M, et al. Targeting human SET1/MLL family of proteins. Protein Sci. 2017 Apr;26 (4) :662-676. doi: 10.1002/pro.3129. Epub 2017 Mar 6.
Shipping Conditions
Room temperature
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CAS Number433311-07-0
PubChem CID1323703
IUPAC Name4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
Molecular FormulaC19H25N5S2
Molecular Weight387.6
XLogP3.8
Topological Polar Surface Area98.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity560
SMILES
CC1(CN=C(S1)N2CCN(CC2)C3=C4C5=C(CCCC5)SC4=NC=N3)C
InChI
InChI=1S/C19H25N5S2/c1-19(2)11-20-18(26-19)24-9-7-23(8-10-24)16-15-13-5-3-4-6-14(13)25-17(15)22-12-21-16/h12H,3-11H2,1-2H3
InChIKey
MNSXQGKLDTVOLP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[4-(5,5-dimethyl-4H-1,3-thiazol-2-yl)piperazin-1-yl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidine
CAS: 433311-07-0
CID: 1323703
Formula: C19H25N5S2
MW: 387.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight387.6
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count2
Exact Mass387.15513817
Monoisotopic Mass387.15513817
Topological Polar Surface Area98.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity560
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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