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BMS-986470

CAT: 0013-GTR19263030-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19263030-02Size:5 mg
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Description
BMS-986470 is a CRBN E3 ubiquitin ligase modulator (CELMoD) that activates fetal hemoglobin (HbF) . It is an orally available molecular glue degradator targeting ZBTB7A and WIZ protein degradation, thereby inducing gamma globin synthesis and activating HbF. It is applicable for studying sickle cell disease (SCD) .
CAS Number
3036554-12-5
Field of Research
Pharmacology & Drug Discovery
Smiles
N (C1=C2C (C (=O) N (C2=O) [C@@H]3C (=O) NC (=O) CC3) =CC=C1) C4=C (C=C5C (=C4) N (C) C (=O) CC5) C=6C=C (C) N=CC6
Molecular Formula
C29H25N5O5
Molecular Weight
523.54
Storage Conditions
-20°C
Notes
For research use only.

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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