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BMS-986158

CAT: 0957-S9691-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0957-S9691-5mgSize:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1800340-40-2
Target
Epigenetic Reader Domain
Applications
Epigenetics
Smiles
C[N]1N=NC (=C1C2=CC3=C (N=C2) C4=C (C=C (C=C4) C (C) (C) O) [N]3C (C5CCOCC5) C6=CC=CC=C6) C
Molecular Formula
C30H33N5O2
Additionnal Information
BMS-986158 is a potent inhibitor of BET with IC50s of 6.6 nM and 5 nM in NCI-H211 small cell lung cancer (SCLC) cells and MDA-MB231 triple negative breast cancer (TNBC) cells, respectively.
Storage Conditions
3 years -20°C powder

Chemical Information

Bms-986158

BMS-986158 is under investigation in clinical trial NCT02419417 (Study of BMS-986158 in Subjects With Select Advanced Cancers).

CAS Number1800340-40-2
PubChem CID118196485
IUPAC Name2-[3-(3,5-dimethyltriazol-4-yl)-5-[(S)-oxan-4-yl(phenyl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol
Molecular FormulaC30H33N5O2
Molecular Weight495.6
XLogP4.1
Topological Polar Surface Area78
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Heavy Atom Count37
Formal Charge0
Complexity769
SMILES
CC1=C(N(N=N1)C)C2=CC3=C(C4=C(N3[C@@H](C5CCOCC5)C6=CC=CC=C6)C=C(C=C4)C(C)(C)O)N=C2
InChI
InChI=1S/C30H33N5O2/c1-19-28(34(4)33-32-19)22-16-26-27(31-18-22)24-11-10-23(30(2,3)36)17-25(24)35(26)29(20-8-6-5-7-9-20)21-12-14-37-15-13-21/h5-11,16-18,21,29,36H,12-15H2,1-4H3/t29-/m1/s1
InChIKey
KGERZPVQIRYWRK-GDLZYMKVSA-N
Chemical Structure
2D Structure
2D structure of Bms-986158
CAS: 1800340-40-2
CID: 118196485
Formula: C30H33N5O2
MW: 495.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight495.6
XLogP34.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count5
Exact Mass495.26342531
Monoisotopic Mass495.26342531
Topological Polar Surface Area78 Ų
Heavy Atom Count37
Formal Charge0
Complexity769
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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Alternative Products

CatalogName
T14685-01BMS-986158
M12735-01BMS 986158
HY-101567RBMS-986158 (Standard)
A19442-25BMS-986158 25mg
A19442-1BMS-986158 1mg
A19442-10BMS-986158 10mg
A19442-100BMS-986158 100mg
A19442-50BMS-986158 50mg
A19442-5BMS-986158 5mg

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