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(R, R) -BMS-986397

CAT: 0804-HY-159646A-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-159646A-01Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
(R, R) -BMS-986397 is a CK1α degrader (DC50 between 0.1-0.5 pM) . (R, R) -BMS-986397 can be used in anti-leukemia research[1].
CAS Number
2564486-48-0
UNSPSC
12352005
Target
Casein Kinase
Related Pathways
Cell Cycle/DNA Damage; Stem Cell/Wnt
Field of Research
Cancer
Purity
99.70
Smiles
O=C1CC[C@@H](N2CC3=C(C=CC(C(N[C@H](C4=NC=CC=C4Cl)C(F)(F)F)=O)=C3)C2=O)C(N1)=O
Molecular Formula
C21H16ClF3N4O4
Molecular Weight
480.82
References & Citations
[1]Frans BACULI, et al. Substituted 1-oxo-isoindoline-5-carboxamide compounds, compositions thereof, and methods of treatment therewith. WO2020243379A1. Celgene Corporation. 2020-05-29.
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

(R,R)-Bms-986397
CAS Number2564486-48-0
PubChem CID155338764
IUPAC NameN-[(1R)-1-(3-chloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide
Molecular FormulaC21H16ClF3N4O4
Molecular Weight480.8
XLogP1.7
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count33
Formal Charge0
Complexity826
SMILES
C1CC(=O)NC(=O)[C@@H]1N2CC3=C(C2=O)C=CC(=C3)C(=O)N[C@H](C4=C(C=CC=N4)Cl)C(F)(F)F
InChI
InChI=1S/C21H16ClF3N4O4/c22-13-2-1-7-26-16(13)17(21(23,24)25)28-18(31)10-3-4-12-11(8-10)9-29(20(12)33)14-5-6-15(30)27-19(14)32/h1-4,7-8,14,17H,5-6,9H2,(H,28,31)(H,27,30,32)/t14-,17-/m1/s1
InChIKey
DGAWFEDONPXNNP-RHSMWYFYSA-N
Chemical Structure
2D Structure
2D structure of (R,R)-Bms-986397
CAS: 2564486-48-0
CID: 155338764
Formula: C21H16ClF3N4O4
MW: 480.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight480.8
XLogP31.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass480.0812172
Monoisotopic Mass480.0812172
Topological Polar Surface Area108 Ų
Heavy Atom Count33
Formal Charge0
Complexity826
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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