XY028-133

 CAS No.: 2229974-73-4  Cat No.: BP-400191  Purity: ≥98% 4.5  

XY028-133 is a PROTAC-based degrader that targets CDK4/6. It has demonstrated anti-tumor activity and comprises ligands for von Hippel-Lindau and CDK.

XY028-133

Structure of 2229974-73-4

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Category
PROTAC
Molecular Formula
C53H67N11O7S
Molecular Weight
1002.23
Appearance
Solid

* For research and manufacturing use only. Not for human or clinical use.

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Purity
≥98%
Solubility
DMSO: 50 mg/mL (49.89 mM; Need ultrasonic)
Appearance
Solid
Storage
Store at -20°C, sealed storage, away from moisture and light
IUPACName
(2S,4R)-1-[(2S)-2-[[7-[4-[6-[(6-acetyl-8-cyclopentyl-5-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl)amino]pyridin-3-yl]piperazin-1-yl]-7-oxoheptanoyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide
Synonyms
N-[7-(4-{6-[(6-Acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino]-3-pyridinyl}-1-piperazinyl)-7-oxoheptanoyl]-3-methyl-L-valyl-(4R)-4-hydroxy-N-[4-(4-methyl-1,3-thiazol-5-yl)benzyl]-L-prolinamide; (2S,4R)-1-((S)-2-(7-(4-(6-((6-acetyl-8-cyclopentyl-5-methyl-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-2-yl)amino)pyridin-3-yl)piperazin-1-yl)-7-oxoheptanamido)-3,3-dimethylbutanoyl)-4-hydroxy-N-(4-(4-methylthiazol-5-yl)benzyl)pyrrolidine-2-carboxamide
Density
1.3±0.1 g/cm3
InChI Key
MWVNDEBEHBRZEC-WWTLGBROSA-N
InChI
InChI=1S/C53H67N11O7S/c1-32-40-29-56-52(60-48(40)64(37-12-10-11-13-37)50(70)45(32)34(3)65)58-42-21-20-38(28-54-42)61-22-24-62(25-23-61)44(68)15-9-7-8-14-43(67)59-47(53(4,5)6)51(71)63-30-39(66)26-41(63)49(69)55-27-35-16-18-36(19-17-35)46-33(2)57-31-72-46/h16-21,28-29,31,37,39,41,47,66H,7-15,22-27,30H2,1-6H3,(H,55,69)(H,59,67)(H,54,56,58,60)/t39-,41+,47-/m1/s1
Canonical SMILES
CC1=C(C(=O)N(C2=NC(=NC=C12)NC3=NC=C(C=C3)N4CCN(CC4)C(=O)CCCCCC(=O)NC(C(=O)N5CC(CC5C(=O)NCC6=CC=C(C=C6)C7=C(N=CS7)C)O)C(C)(C)C)C8CCCC8)C(=O)C

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* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2

* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O c22h30n40
g/mol
g

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