Thalidomide, propargyl - ≥95%(HPLC) , CAS No.2098487-39-7

CAS: 2098487-39-7 Cat. No.: T287913 Molecular Weight: 312.28 PubChem CID: 132118478

GRADE & PURITY ≥95%(HPLC)

Synonyms

2-(2,6-Dioxo-3-piperidinyl)-4-(2-propyn-1-yloxy)-1H-isoindole-1,3(2H)-dione | Thalidomide-propargyl

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

230

Specifications

Synonyms

2-(2, 6-Dioxo-3-piperidinyl)-4-(2-propyn-1-yloxy)-1H-isoindole-1, 3(2H)-dione | Thalidomide-propargyl

Specifications & Purity

≥95%(HPLC)

Biochemical and Physiological Mechanisms

Click-activatedThalidomide; can be used as a precursor to a PROTAC®that hijacks cereblon as the E3 ubiquitin ligase component. Supplied with an alkyne functional handle at a position known not to significantly affect binding to cereblon, for ready click c

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%(HPLC)

Names and Identifiers

• Pubchem Sid: 528767493
• Canonical Smiles: C#CCOC1=CC=CC2=C1C(=O)N(C2=O)C3CCC(=O)NC3=O
• IUPAC Name: 2-(2,6-dioxopiperidin-3-yl)-4-prop-2-ynoxyisoindole-1,3-dione
• InChIKey: NOGQTNDSZFYNTM-UHFFFAOYSA-N
• INCHI: 1S/C16H12N2O5/c1-2-8-23-11-5-3-4-9-13(11)16(22)18(15(9)21)10-6-7-12(19)17-14(10)20/h1,3-5,10H,6-8H2,(H,17,19,20)
• PubChem CID: 132118478
• Molecular Weight: 312.28

Chemical and Physical Properties

• Molecular Weight: 312.280 g/mol
• XLogP3: 0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 312.075 Da
• Monoisotopic Mass: 312.075 Da
• Topological Polar Surface Area: 92.800 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 619.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1