N-(Propargyl-PEG4)-biocytin - ≥98% , CAS No.2055042-71-0

CAS: 2055042-71-0 Cat. No.: N596189 Molecular Weight: 614.8 PubChem CID: 123132113

GRADE & PURITY ≥98%

Synonyms

MS-30731 | HY-140926 | (2S)-6-{5-[(3aS,4S,6aR)-2-oxo-hexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamido}-2-(4,7,10,13-tetraoxahexadec-15-ynamido)hexanoic acid | C70675 | (2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pent

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Application

227,228,229

Overview

N-(Propargyl-PEG4)-biocytin is a biotin PEG derivative containing a carboxylic group and an alkyne group. Reaction of carboxylic with primary amino (-NH2) forms stable, irreversible amide bonds. The alkyne group can react with azide moiety in Cu(I)-catalyzed Click Chemistry reaction to form a stable triazole linkage. The hydrophilic PEG spacer increases solubility in aqueous media of the molecules conjugated to the biotin compound.

Specifications

Synonyms

MS-30731 | HY-140926 | (2S)-6-{5-[(3aS, 4S, 6aR)-2-oxo-hexahydro-1H-thieno[3, 4-d]imidazol-4-yl]pentanamido}-2-(4, 7, 10, 13-tetraoxahexadec-15-ynamido)hexanoic acid | C70675 | (2S)-6-[5-[(3aS, 4S, 6aR)-2-oxo-1, 3, 3a, 4, 6, 6a-hexahydrothieno[3, 4-d]imidazol-4-yl]pent

Specifications & Purity

≥98%

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

≥98%

Names and Identifiers

• Canonical Smiles: C#CCOCCOCCOCCOCCC(=O)NC(CCCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)C(=O)O
• IUPAC Name: (2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-[3-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]propanoylamino]hexanoic acid
• InChIKey: IPPRUAQKQUEPCX-HZLPDVBGSA-N
• INCHI: 1S/C28H46N4O9S/c1-2-12-38-14-16-40-18-19-41-17-15-39-13-10-25(34)30-21(27(35)36)7-5-6-11-29-24(33)9-4-3-8-23-26-22(20-42-23)31-28(37)32-26/h1,21-23,26H,3-20H2,(H,29,33)(H,30,34)(H,35,36)(H2,31,32,37)/t21-,22-,23-,26-/m0/s1
• Isomeric SMILES: C#CCOCCOCCOCCOCCC(=O)N[C@@H](CCCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)C(=O)O
• Alternate CAS: 2055042-71-0
• PubChem CID: 123132113
• Molecular Weight: 614.8

Chemical and Physical Properties

• Solubility: Solubility in Water, DMSO, DCM, DMF
• Molecular Weight: 614.800 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 25
• Exact Mass: 614.299 Da
• Monoisotopic Mass: 614.299 Da
• Topological Polar Surface Area: 199.000 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 885.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 4
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1