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BAY-155

CAT: 0013-GTR19235567-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19235567-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BAY-155 is a potent and selective menin-MLL interaction inhibitor with an 8 nM IC50. It modulates gene expression, downregulating MEIS1 while upregulating CD11b and MNDA, and exhibits anti-proliferative activity in both in vitro and in vivo models of acute leukemias (AML/ALL) .
CAS Number
2163769-52-4
Field of Research
Epigenetics & Chromatin
Smiles
N#CC1=CC=2C (=CC=C (C2C) CN3CCC4 (CN (C=5N=CN=C6SC (=CC65) CC (F) (F) F) C4) CC3) N1CC (=O) N
Molecular Formula
C28H28F3N7OS
Molecular Weight
567.63
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2-[2-Cyano-4-methyl-5-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]-1-indolyl]acetamide
CAS Number2163769-52-4
PubChem CID150831666
IUPAC Name2-[2-cyano-4-methyl-5-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]indol-1-yl]acetamide
Molecular FormulaC28H28F3N7OS
Molecular Weight567.6
XLogP4.9
Topological Polar Surface Area132
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Heavy Atom Count40
Formal Charge0
Complexity990
SMILES
CC1=C(C=CC2=C1C=C(N2CC(=O)N)C#N)CN3CCC4(CC3)CN(C4)C5=C6C=C(SC6=NC=N5)CC(F)(F)F
InChI
InChI=1S/C28H28F3N7OS/c1-17-18(2-3-23-21(17)8-19(11-32)38(23)13-24(33)39)12-36-6-4-27(5-7-36)14-37(15-27)25-22-9-20(10-28(29,30)31)40-26(22)35-16-34-25/h2-3,8-9,16H,4-7,10,12-15H2,1H3,(H2,33,39)
InChIKey
KMCCLTBDFVCDLQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-[2-Cyano-4-methyl-5-[[2-[6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]-2,7-diazaspiro[3.5]nonan-7-yl]methyl]-1-indolyl]acetamide
CAS: 2163769-52-4
CID: 150831666
Formula: C28H28F3N7OS
MW: 567.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight567.6
XLogP34.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count6
Exact Mass567.20281420
Monoisotopic Mass567.20281420
Topological Polar Surface Area132 Ų
Heavy Atom Count40
Formal Charge0
Complexity990
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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