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BMS-986470

CAT: 0804-HY-175742-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-175742-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BMS-986470, a HbF-activating CRBN E3 ligase modulator (CELMoD), is an orally active dual molecular glue degrader targeting ZBTB7A and WIZ. BMS-986470 has potent γ-globin induction activity. BMS-986470 can be used for sickle cell disease (SCD) research[1].
CAS Number
3036554-12-5
UNSPSC
12352005
Target
Histone Acetyltransferase; Ligands for E3 Ligase; Molecular Glues
Related Pathways
Epigenetics; PROTAC
Applications
Neuroscience-Neuromodulation
Field of Research
Cardiovascular Disease
Smiles
CC1=NC=CC(C2=CC3=C(N(C(CC3)=O)C)C=C2NC4=CC=CC5=C4C(N(C5=O)[C@H]6CCC(NC6=O)=O)=O)=C1
Molecular Formula
C29H25N5O5
Molecular Weight
523.54
References & Citations
[1]Rychak E, et al. Development of a ZBTB7A and Wiz Dual Degrading, HbF-Activating CELMoD™ for the Treatment of Sickle Cell Disease[J]. Blood, 2024, 144: 169.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[1-methyl-6-(2-methyl-4-pyridinyl)-2-oxo-3,4-dihydroquinolin-7-yl]amino]isoindole-1,3-dione
CAS Number3036554-12-5
PubChem CID171554272
IUPAC Name2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[1-methyl-6-(2-methyl-4-pyridinyl)-2-oxo-3,4-dihydroquinolin-7-yl]amino]isoindole-1,3-dione
Molecular FormulaC29H25N5O5
Molecular Weight523.5
XLogP2.5
Topological Polar Surface Area129
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count39
Formal Charge0
Complexity1050
SMILES
CC1=NC=CC(=C1)C2=C(C=C3C(=C2)CCC(=O)N3C)NC4=CC=CC5=C4C(=O)N(C5=O)[C@H]6CCC(=O)NC6=O
InChI
InChI=1S/C29H25N5O5/c1-15-12-16(10-11-30-15)19-13-17-6-9-25(36)33(2)23(17)14-21(19)31-20-5-3-4-18-26(20)29(39)34(28(18)38)22-7-8-24(35)32-27(22)37/h3-5,10-14,22,31H,6-9H2,1-2H3,(H,32,35,37)/t22-/m0/s1
InChIKey
WTHBTFQJBVJOAO-QFIPXVFZSA-N
Chemical Structure
2D Structure
2D structure of 2-[(3S)-2,6-dioxopiperidin-3-yl]-4-[[1-methyl-6-(2-methyl-4-pyridinyl)-2-oxo-3,4-dihydroquinolin-7-yl]amino]isoindole-1,3-dione
CAS: 3036554-12-5
CID: 171554272
Formula: C29H25N5O5
MW: 523.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight523.5
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass523.18556891
Monoisotopic Mass523.18556891
Topological Polar Surface Area129 Ų
Heavy Atom Count39
Formal Charge0
Complexity1050
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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