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ASTX295

CAT: 0804-HY-176083-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-176083-03Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
ASTX295 is a selective mouse double minute 2 (MDM2) antagonist with an IC50 value of [1].
CAS Number
2093449-12-6
UNSPSC
12352005
Target
MDM-2/p53
Related Pathways
Apoptosis
Field of Research
Cancer
Purity
99.81
Solubility
DMSO : 41.18 mg/mL (ultrasonic; warming; heat to 60°C)
Smiles
CO[C@](C(C(C1=O)=C2)=C(F)C=C2[C@@](CC)(O)C3CCOCC3)(N1[C@H](C4=CC=C(Cl)C=C4)[C@H](C)C(O)=O)C5=CC=C(Cl)C=C5
Molecular Formula
C33H34Cl2FNO6
Molecular Weight
630.53
References & Citations
[1]Iqbal N, et al. ASTX295 a Novel Potent MDM2 Antagonist Induces More Than One Mechanism of Programmed Cell Death (PCD) in Lymphoid Malignancies[J]. Blood, 2024, 144: 3591.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 1

Chemical Information

(2S,3S)-3-(4-chlorophenyl)-3-((R)-1-(4-chlorophenyl)-7-fluoro-5-((S)-1-hydroxy-1-(tetrahydro-2H-pyran-4-yl)propyl)-1-methoxy-3-oxoisoindolin-2-yl)-2-methylpropanoic acid
CAS Number2093449-12-6
PubChem CID135281467
IUPAC Name(2S,3S)-3-(4-chlorophenyl)-3-[(1R)-1-(4-chlorophenyl)-7-fluoro-5-[(1S)-1-hydroxy-1-(oxan-4-yl)propyl]-1-methoxy-3-oxoisoindol-2-yl]-2-methylpropanoic acid
Molecular FormulaC33H34Cl2FNO6
Molecular Weight630.5
XLogP5.8
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Heavy Atom Count43
Formal Charge0
Complexity984
SMILES
CC[C@](C1CCOCC1)(C2=CC3=C(C(=C2)F)[C@@](N(C3=O)[C@H](C4=CC=C(C=C4)Cl)[C@H](C)C(=O)O)(C5=CC=C(C=C5)Cl)OC)O
InChI
InChI=1S/C33H34Cl2FNO6/c1-4-32(41,21-13-15-43-16-14-21)23-17-26-28(27(36)18-23)33(42-3,22-7-11-25(35)12-8-22)37(30(26)38)29(19(2)31(39)40)20-5-9-24(34)10-6-20/h5-12,17-19,21,29,41H,4,13-16H2,1-3H3,(H,39,40)/t19-,29-,32-,33+/m0/s1
InChIKey
JDCHPEZNOKLHPK-KJEAJVGRSA-N
Chemical Structure
2D Structure
2D structure of (2S,3S)-3-(4-chlorophenyl)-3-((R)-1-(4-chlorophenyl)-7-fluoro-5-((S)-1-hydroxy-1-(tetrahydro-2H-pyran-4-yl)propyl)-1-methoxy-3-oxoisoindolin-2-yl)-2-methylpropanoic acid
CAS: 2093449-12-6
CID: 135281467
Formula: C33H34Cl2FNO6
MW: 630.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight630.5
XLogP35.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count9
Exact Mass629.1747214
Monoisotopic Mass629.1747214
Topological Polar Surface Area96.3 Ų
Heavy Atom Count43
Formal Charge0
Complexity984
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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