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KT-253

CAT: 0013-GTR19250347-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19250347-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
KT-253 is a bifunctional small molecule that stabilizes p53 and potently degrades MDM2 via cereblon recruitment (DC50=0.4 nM) . It demonstrates potent anti-proliferative activity (IC50=0.3 nM in RS4;11 cells), inducing G2/M arrest and apoptosis, with confirmed antitumor efficacy in mouse models.
CAS Number
2713618-08-5
Field of Research
Cell Biology, Pharmacology & Drug Discovery
Smiles
O=C1[C@@]2 (C3 (N[C@@H] (C (N[C@@H]4CC[C@@H] (C (=O) N5CCC (CC5) C=6C=C7C (=CC6) N (C (=O) N7C) C8C (=O) NC (=O) CC8) CC4) =O) [C@@H]2C9=C (F) C (Cl) =CC=C9) CCCCC3) C=%10C (N1) =CC (Cl) =CC%10
Molecular Formula
C48H52Cl2FN7O6
Molecular Weight
912.874
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(3'R,4'S,5'R)-6''-chloro-4'-(3-chloro-2-fluorophenyl)-N-((1r,4R)-4-(4-(1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)piperidine-1-carbonyl)cyclohexyl)-2''-oxodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indoline]-5'-carboxamide

KT-253 is a selective heterobifunctional small molecule degrader of mouse double minute 2 (MDM2).

CAS Number2713618-08-5
PubChem CID166753033
Molecular FormulaC48H52Cl2FN7O6
Molecular Weight912.9
XLogP5.3
Topological Polar Surface Area160
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count64
Formal Charge0
Complexity1860
SMILES
CN1C2=C(C=CC(=C2)C3CCN(CC3)C(=O)C4CCC(CC4)NC(=O)[C@H]5[C@@H]([C@@]6(C7=C(C=C(C=C7)Cl)NC6=O)C8(N5)CCCCC8)C9=C(C(=CC=C9)Cl)F)N(C1=O)C1CCC(=O)NC1=O
InChI
InChI=1S/C48H52Cl2FN7O6/c1-56-37-24-28(10-15-35(37)58(46(56)64)36-16-17-38(59)54-42(36)60)26-18-22-57(23-19-26)44(62)27-8-12-30(13-9-27)52-43(61)41-39(31-6-5-7-33(50)40(31)51)48(47(55-41)20-3-2-4-21-47)32-14-11-29(49)25-34(32)53-45(48)63/h5-7,10-11,14-15,24-27,30,36,39,41,55H,2-4,8-9,12-13,16-23H2,1H3,(H,52,61)(H,53,63)(H,54,59,60)/t27?,30?,36?,39-,41+,48+/m0/s1
InChIKey
CQFHGOWYJXQICA-FKDNKQOESA-N
Chemical Structure
2D Structure
2D structure of (3'R,4'S,5'R)-6''-chloro-4'-(3-chloro-2-fluorophenyl)-N-((1r,4R)-4-(4-(1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)piperidine-1-carbonyl)cyclohexyl)-2''-oxodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indoline]-5'-carboxamide
CAS: 2713618-08-5
CID: 166753033
Formula: C48H52Cl2FN7O6
MW: 912.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight912.9
XLogP35.3
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass911.3340160
Monoisotopic Mass911.3340160
Topological Polar Surface Area160 Ų
Heavy Atom Count64
Formal Charge0
Complexity1860
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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