t-Boc-N-amido-PEG4-propionic acid - CAS 756525-91-4

Name: t-Boc-N-amido-PEG4-propionic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB035362
Product Name:	t-Boc-N-amido-PEG4-propionic acid
CAS:	756525-91-4
Synonyms:	t-Boc-N-amido-PEG4-acid; 15-(Boc-amino)-4,7,10,13-tetraoxapentadecanoic acid; 2,2-Dimethyl-4-oxo-3,8,11,14,17-pentaoxa-5-azaicosan-20-oic acid; (Boc-amino)-PEG4-carboxylic Acid; Boc-NH-PEG4-CH2CH2COOH; t-Boc-NH-amido-PEG4-COOH; Boc-NH-PEG4-COOH; N-(tert-Butyloxycarbonyl)-15-amino-4,7,10,13-tetraoxapentanedecanoic Acid; 5,8,11,14-Tetraoxa-2-azaheptadecanedioic acid, 1-(1,1-dimethylethyl) ester

Technical Data

Related CAS:	187848-68-6 (polymer)
IUPAC Name:	3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
Description:	Boc-NH-PEG4-CH2CH2COOH is a PEG-based PROTAC linker can be used in the synthesis of PROTAC. Boc-NH-PEG4-CH2CH2COOH is also a cleavable ADC linker used as a linker for antibody-drug conjugates (ADC).
Molecular Weight:	365.42
Molecular Formula:	C16H31NO8
Canonical SMILES:	CC(C)(C)OC(=O)NCCOCCOCCOCCOCCC(=O)O
InChI:	InChI=1S/C16H31NO8/c1-16(2,3)25-15(20)17-5-7-22-9-11-24-13-12-23-10-8-21-6-4-14(18)19/h4-13H2,1-3H3,(H,17,20)(H,18,19)
InChI Key:	YEIYIPDFZMLJQH-UHFFFAOYSA-N
Boiling Point:	504.5±50.0 °C at 760 mmHg
Flash Point:	258.9±30.1 °C
Purity:	≥95%
Density:	1.124±0.06 g/cm3 at 20°C, 760 Torr
Solubility:	Soluble in DMSO (10 mm)
Appearance:	Pale Yellow or Colorless Oily Matter
Storage:	Store at 2-8°C
LogP:	-0.14
Vapor Pressure:	0.0±2.8 mmHg at 25°C

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WO-2021195295-A1	Bifunctional molecules and methods of using thereof	20200324
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Complexity:	357
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	365.20496695
Formal Charge:	0
Heavy Atom Count:	25
Hydrogen Bond Acceptor Count:	8
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	365.20496695
Rotatable Bond Count:	17
Topological Polar Surface Area:	113
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2