Products for Research Use Only
RegisterLogin

BAY-155

CAT: 0931-T85802-01Size: 100 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T85802-01Size:100 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
2163769-52-4
Target
Epigenetic Reader Domain
Related Pathways
Chromatin/Epigenetic
Bioactivity
BAY-155 is a powerful and selective menin-MLL inhibitor, exhibiting an IC 50 of 8 nM. It significantly down-regulates MEIS1 gene expression while up-regulating CD11b and MNDA genes. BAY-155 also demonstrates anti-proliferative effects in AML/ALL (acute myeloid/lymphoblastic leukemia) models [1].
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
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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

Related Products

CatalogName
T206383-01EGFR-IN-155
T5482-01TG4-155
T22086-01HA 155
T29539-01AC-155
T13272-01UT-155
T24874-01TGX-155
T70133-01BAY-846
T69689-01BAY-693
T202655-01BAY-9835
T201377-01BAY 593

Alternative Products

CatalogName
HY-160018BAY-155
MBS131507BAY-1217389 BAY 1217389? BAY 1217389?
EZB65222-01HA 155
MBS3613087-01HA-155
6491/10YM 155
MBS3601447YLC2-155
GTR19199571-01TGX-155
GTR19195961-01AC-155
GTR19172326-01YM-155
GTR19158131-01TG4-155

Popular Products