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YSY01A

CAT: 0013-GTR19238579-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19238579-01Size:25 mg
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Description
YSY01A is a proteasome inhibitor that induces apoptosis in cancer cells, exhibiting potent IC50 values against various cell lines including A549 and MCF-7. It also acts as a degrader of gp130 and JAK2, effectively suppressing constitutive STAT3 signaling. This compound is a valuable research tool for studying cancer therapeutics in both in vitro and in vivo models.
CAS Number
1194235-46-5
Field of Research
Cardiovascular Research, Epigenetics & Chromatin, Immunology & Inflammation, Protein Biochemistry, Signal Transduction, Stem Cell & Developmental Biology
Smiles
C ([C@H] (NC ([C@@H] (NC (=O) C=1C=NC=CN1) CC (C) C) =O) C (N[C@@H] (CC (C) C) B (O) O) =O) C2=CC3=C (C=C2) C=CC=C3
Molecular Formula
C29H38BN5O5
Molecular Weight
547.45
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

[(1R)-3-methyl-1-[[(2S)-2-[[(2S)-4-methyl-2-(pyrazine-2-carbonylamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]butyl]boronic acid
CAS Number1194235-46-5
PubChem CID44555355
IUPAC Name[(1R)-3-methyl-1-[[(2S)-2-[[(2S)-4-methyl-2-(pyrazine-2-carbonylamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]butyl]boronic acid
Molecular FormulaC29H38BN5O5
Molecular Weight547.5
Topological Polar Surface Area154
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Heavy Atom Count40
Formal Charge0
Complexity829
SMILES
B([C@H](CC(C)C)NC(=O)[C@H](CC1=CC2=CC=CC=C2C=C1)NC(=O)[C@H](CC(C)C)NC(=O)C3=NC=CN=C3)(O)O
InChI
InChI=1S/C29H38BN5O5/c1-18(2)13-23(33-29(38)25-17-31-11-12-32-25)27(36)34-24(28(37)35-26(30(39)40)14-19(3)4)16-20-9-10-21-7-5-6-8-22(21)15-20/h5-12,15,17-19,23-24,26,39-40H,13-14,16H2,1-4H3,(H,33,38)(H,34,36)(H,35,37)/t23-,24-,26-/m0/s1
InChIKey
BJJCLDNVNAULGO-GNKBHMEESA-N
Chemical Structure
2D Structure
2D structure of [(1R)-3-methyl-1-[[(2S)-2-[[(2S)-4-methyl-2-(pyrazine-2-carbonylamino)pentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]butyl]boronic acid
CAS: 1194235-46-5
CID: 44555355
Formula: C29H38BN5O5
MW: 547.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight547.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count13
Exact Mass547.2965995
Monoisotopic Mass547.2965995
Topological Polar Surface Area154 Ų
Heavy Atom Count40
Formal Charge0
Complexity829
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T200778-01YSY01A

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