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YH249

CAT: 0013-GTR19241596-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19241596-02Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
YH249 is a potent and selective small molecule inhibitor targeting the p300/β-catenin interaction. It is a valuable research tool for studying Wnt/β-catenin signaling in oncology and has demonstrated utility in both cellular assays and in vivo tumor models.
CAS Number
2141977-22-0
Smiles
C (NCC1=C (OC) C (OC) =CC=C1) (=O) N2[C@@]3 (N ([C@@H] (CC4=CC=C (O) C=C4) C (=O) N (CC5=C (N (C) C) C (Cl) =CC=C5) C3) C (=O) CN2C) [H]
Molecular Formula
C33H39ClN6O6
Molecular Weight
651.15
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(6S,9aS)-8-(3-Chloro-2-(dimethylamino)benzyl)-N-(2,3-dimethoxybenzyl)-6-(4-hydroxybenzyl)-2-methyl-4,7-dioxooctahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide
CAS Number2141977-22-0
PubChem CID132046826
IUPAC Name(6S,9aS)-8-[[3-chloro-2-(dimethylamino)phenyl]methyl]-N-[(2,3-dimethoxyphenyl)methyl]-6-[(4-hydroxyphenyl)methyl]-2-methyl-4,7-dioxo-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
Molecular FormulaC33H39ClN6O6
Molecular Weight651.1
XLogP3.9
Topological Polar Surface Area118
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Heavy Atom Count46
Formal Charge0
Complexity1060
SMILES
CN1CC(=O)N2[C@@H](N1C(=O)NCC3=C(C(=CC=C3)OC)OC)CN(C(=O)[C@@H]2CC4=CC=C(C=C4)O)CC5=C(C(=CC=C5)Cl)N(C)C
InChI
InChI=1S/C33H39ClN6O6/c1-36(2)30-23(9-6-10-25(30)34)18-38-19-28-39(26(32(38)43)16-21-12-14-24(41)15-13-21)29(42)20-37(3)40(28)33(44)35-17-22-8-7-11-27(45-4)31(22)46-5/h6-15,26,28,41H,16-20H2,1-5H3,(H,35,44)/t26-,28-/m0/s1
InChIKey
DUHMENYBTZHLEH-XCZPVHLTSA-N
Chemical Structure
2D Structure
2D structure of (6S,9aS)-8-(3-Chloro-2-(dimethylamino)benzyl)-N-(2,3-dimethoxybenzyl)-6-(4-hydroxybenzyl)-2-methyl-4,7-dioxooctahydro-1H-pyrazino[2,1-c][1,2,4]triazine-1-carboxamide
CAS: 2141977-22-0
CID: 132046826
Formula: C33H39ClN6O6
MW: 651.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight651.1
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count9
Exact Mass650.2619607
Monoisotopic Mass650.2619607
Topological Polar Surface Area118 Ų
Heavy Atom Count46
Formal Charge0
Complexity1060
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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