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YH239-EE

CAT: 0013-GTR19163738-02Size: 500 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19163738-02Size:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
YH239-EE is the ethyl ester of YH239, which is a highly potent, selective MDM2-p53 antagonist with Ki of 300 nM, shows no affinity for MDM4; induces apoptosis in AML cells and patient samples, induces p53 and activates the apoptotic caspase 3/7 in MOLM-13 (wt-p53) cells.
CAS Number
1364488-67-4
Product Name Alternative
YH 239-EE | YH 239 EE
Purity
>98% (HPLC)
Solubility
DMSO: ≥ 55 mg/mL
Smiles
O=C (C (N1) =C (C (N (CC2=CC=C (Cl) C=C2) C=O) C (NC (C) (C) C) =O) C3=C1C=C (Cl) C=C3) OCC
Molecular Formula
C25H27Cl2N3O4
Molecular Weight
504.4056
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
1H-Indole-2-carboxylic acid, 6-chloro-3-[1-[[ (4-chlorophenyl) methyl]formylamino]-2-[ (1,1-dimethylethyl) amino]-2-oxoethyl]-, ethyl ester

Chemical Information

Ethyl 3-(2-(tert-butylamino)-1-(N-(4-chlorobenzyl)formamido)-2-oxoethyl)-6-chloro-1H-indole-2-carboxylate
CAS Number1364488-67-4
PubChem CID56943013
IUPAC Nameethyl 3-[2-(tert-butylamino)-1-[(4-chlorophenyl)methyl-formylamino]-2-oxoethyl]-6-chloro-1H-indole-2-carboxylate
Molecular FormulaC25H27Cl2N3O4
Molecular Weight504.4
XLogP5.2
Topological Polar Surface Area91.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Heavy Atom Count34
Formal Charge0
Complexity723
SMILES
CCOC(=O)C1=C(C2=C(N1)C=C(C=C2)Cl)C(C(=O)NC(C)(C)C)N(CC3=CC=C(C=C3)Cl)C=O
InChI
InChI=1S/C25H27Cl2N3O4/c1-5-34-24(33)21-20(18-11-10-17(27)12-19(18)28-21)22(23(32)29-25(2,3)4)30(14-31)13-15-6-8-16(26)9-7-15/h6-12,14,22,28H,5,13H2,1-4H3,(H,29,32)
InChIKey
OTUBDDRFPQLPKD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethyl 3-(2-(tert-butylamino)-1-(N-(4-chlorobenzyl)formamido)-2-oxoethyl)-6-chloro-1H-indole-2-carboxylate
CAS: 1364488-67-4
CID: 56943013
Formula: C25H27Cl2N3O4
MW: 504.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight504.4
XLogP35.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count9
Exact Mass503.1378617
Monoisotopic Mass503.1378617
Topological Polar Surface Area91.5 Ų
Heavy Atom Count34
Formal Charge0
Complexity723
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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