t-Boc-N-amido-PEG1-propionic acid - CAS 1260092-44-1

Name: t-Boc-N-amido-PEG1-propionic acid
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB006292
Product Name:	t-Boc-N-amido-PEG1-propionic acid
CAS:	1260092-44-1
Synonyms:	t-Boc-N-amido-PEG1-acid; Boc-NH-PEG1-CH2CH2COOH; t-Boc-NH-amido-PEG1-COOH; Boc-NH-PEG1-COOH; 3-[2-(Boc-amino)ethoxy]propanoic Acid; 3-(2-N-Boc-aminoethoxy)propanoic acid; 3-(2-((tert-Butoxycarbonyl)amino)ethoxy)propanoic acid; Propanoic acid, 3-[2-[[(1,1-dimethylethoxy)carbonyl]amino]ethoxy]-; 3-[2-({[(2-Methyl-2-propanyl)oxy]carbonyl}amino)ethoxy]propanoic acid

Technical Data

Related CAS:	187848-68-6 (polymer)
IUPAC Name:	3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]propanoic acid
Description:	t-Boc-N-amido-PEG1-propionic acid is a cleavable (1-unit PEG) ADC linker, as well as a PEG- and alkyl/ether-based PROTAC linker that can be used to synthesize antibody-drug conjugates (ADCs) or PROTACs.
Molecular Weight:	233.26
Molecular Formula:	C10H19NO5
Canonical SMILES:	CC(C)(C)OC(=O)NCCOCCC(=O)O
InChI:	InChI=1S/C10H19NO5/c1-10(2,3)16-9(14)11-5-7-15-6-4-8(12)13/h4-7H2,1-3H3,(H,11,14)(H,12,13)
InChI Key:	YGNSGMAPLOVGIU-UHFFFAOYSA-N
Boiling Point:	385.0±27.0 °C at 760 mmHg
Flash Point:	186.7±23.7 °C
Purity:	≥95%
Density:	1.127±0.06 g/cm3 (Predicted)
Solubility:	Soluble in DMSO
Appearance:	Pale Yellow or Colorless Oily Liquid
Storage:	Store at 2-8°C
LogP:	0.93
Vapor Pressure:	0.0±1.9 mmHg at 25°C

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021110860-A1	Reactive conjugates	20191203
WO-2021058443-A1	Fluorescent probes for monoacylglycerol lipase (magl)	20190924
CN-112457365-A	Functional molecules of targeting protein hydrolysis pathway and preparation and application thereof	20190909
WO-2021047524-A1	Class of functional molecules targeting proteolysis pathways, preparation and application thereof	20190909
WO-2020200291-A1	Compounds and methods of treating cancers	20190402

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	233.12632271
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	233.12632271
Rotatable Bond Count:	8
Topological Polar Surface Area:	84.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3