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TERT-BUTYL 12-HYDROXY-4 7 10-TRIOXA-, also known as Hydroxy-PEG3-t-butyl ester, is a PEG (polyethylene glycol) linker that contains a hydroxyl group with a t-butyl ester. This molecule is characterized by its hydrophilic PEG spacer, which enhances solubility in aqueous media, and a t-butyl protected carboxyl group that can be deprotected under acidic conditions. The presence of the hydroxyl group allows for further derivatization or replacement with other reactive functional groups, making it a versatile compound for various applications.

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  • 3-{2-[2-(2-Hydroxy-Ethoxy)-Ethoxy]-Ethoxy}-Propionic Acid Tert-Butyl Ester

    Cas No: 186020-66-6

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  • 1 Metric Ton

  • 1 million Metric Ton/Year

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  • 186020-66-6 Structure
  • Basic information

    1. Product Name: TERT-BUTYL 12-HYDROXY-4 7 10-TRIOXA-
    2. Synonyms: TERT-BUTYL 12-HYDROXY-4 7 10-TRIOXA-;HO-PEG3-tBu;HO-PEG3-CH2CH2COOtBu;3-[2-[2-(2-Hydroxyethoxy)ethoxy]ethoxy]propionic acid tert-butyl ester;tert-Butyl 12-hydroxy-4,7,10-trioxadodecanoate >=97.0% (GC);Hydroxy-PEG4-t-butylester;Propanoic acid, 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-, 1,1-dimethylethyl ester;tert-Butyl 3-(2-(2-(2-hydroxyethoxy)
    3. CAS NO:186020-66-6
    4. Molecular Formula: C13H26O6
    5. Molecular Weight: 278.342
    6. EINECS: N/A
    7. Product Categories: N/A
    8. Mol File: 186020-66-6.mol
  • Chemical Properties

    1. Melting Point: N/A
    2. Boiling Point: 365.8°C at 760 mmHg
    3. Flash Point: 125.2°C
    4. Appearance: /
    5. Density: 1.052 g/mL at 20 °C(lit.)
    6. Vapor Pressure: 7.78E-07mmHg at 25°C
    7. Refractive Index: n20/D 1.446
    8. Storage Temp.: Inert atmosphere,Room Temperature
    9. Solubility: N/A
    10. PKA: 14.36±0.10(Predicted)
    11. BRN: 7638988
    12. CAS DataBase Reference: TERT-BUTYL 12-HYDROXY-4 7 10-TRIOXA-(CAS DataBase Reference)
    13. NIST Chemistry Reference: TERT-BUTYL 12-HYDROXY-4 7 10-TRIOXA-(186020-66-6)
    14. EPA Substance Registry System: TERT-BUTYL 12-HYDROXY-4 7 10-TRIOXA-(186020-66-6)
  • Safety Data

    1. Hazard Codes: N/A
    2. Statements: N/A
    3. Safety Statements: N/A
    4. WGK Germany: 3
    5. RTECS:
    6. F: 10
    7. HazardClass: N/A
    8. PackingGroup: N/A
    9. Hazardous Substances Data: 186020-66-6(Hazardous Substances Data)

186020-66-6 Usage

Uses

Used in Pharmaceutical Industry:
TERT-BUTYL 12-HYDROXY-4 7 10-TRIOXAis used as a solubility enhancer for improving the aqueous solubility of hydrophobic drugs. The hydrophilic PEG spacer increases the drug's interaction with water, facilitating better dissolution and absorption.
Used in Chemical Synthesis:
In the field of chemical synthesis, TERT-BUTYL 12-HYDROXY-4 7 10-TRIOXAserves as a versatile building block for the creation of more complex molecules. The hydroxyl group can be further derivatized or replaced with other reactive functional groups, allowing for the development of new compounds with specific properties and applications.
Used in Drug Delivery Systems:
TERT-BUTYL 12-HYDROXY-4 7 10-TRIOXAis used as a component in the design of drug delivery systems. The t-butyl protected carboxyl group can be deprotected under acidic conditions, allowing for the controlled release of drugs in specific environments, such as the acidic conditions of tumor tissues or the endosome/lysosome compartments in cells.
Used in Bioconjugation:
In the field of bioconjugation, TERT-BUTYL 12-HYDROXY-4 7 10-TRIOXAis used as a linker to attach biologically active molecules, such as peptides, proteins, or nucleic acids, to other molecules or surfaces. The hydroxyl group provides a reactive site for covalent attachment, enabling the creation of conjugates with specific properties and functions.

Check Digit Verification of cas no

The CAS Registry Mumber 186020-66-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,8,6,0,2 and 0 respectively; the second part has 2 digits, 6 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 186020-66:
(8*1)+(7*8)+(6*6)+(5*0)+(4*2)+(3*0)+(2*6)+(1*6)=126
126 % 10 = 6
So 186020-66-6 is a valid CAS Registry Number.
InChI:InChI=1/C13H26O6/c1-13(2,3)19-12(15)4-6-16-8-10-18-11-9-17-7-5-14/h14H,4-11H2,1-3H3

186020-66-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]propanoate

1.2 Other means of identification

Product number -
Other names Hydroxy-PEG3-t-butyl ester

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:186020-66-6 SDS

186020-66-6Relevant articles and documents

A 18F-labeled dibenzocyclooctyne (DBCO) derivative for copper-free click labeling of biomolecules

Kettenbach,Ross

, p. 654 - 657 (2016)

The new prosthetic group 18F-TEG-DBCO (dibenzocyclooctyne) can be prepared within a total reaction time of 60 min including purification with an overall yield (n.d.c.) of 34 ± 5%. Copper-free click cycloadditions with an azido-cRGD, a folate-az

CONJUGATES OF A CELL-BINDING MOLECULE WITH CAMPTOTHECIN ANALOGS

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Page/Page column 196-197, (2021/10/30)

Provided are conjugates of camptothecin analogs with a cell-binding molecule of formula (I), wherein R1, R2, R3, R4, R5, X, L, n, m, T and ----- are defined herein. It also provides methods of making the conjugates of camptothecin analogs to a cell-binding agent, as well as methods of using the conjugates in targeted treatment of cancer, infection, and immunological disorders.

PROTAC small molecular compound and application thereof

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Paragraph 0235-0237, (2021/03/30)

The invention discloses a compound with a general formula I, or a pharmaceutically acceptable salt, a stereoisomer, an ester, a prodrug, a solvate and a deuterated compound thereof, a composition containing the compound with the general formula I, and application of the compound with the general formula I or the pharmaceutically acceptable salt, stereoisomer, ester, prodrug, solvate and deuteratedcompound thereof in preparation of medicines for treating diseases related to serine/threonine kinase family (MAP4Ks), preferably medicines for treating diseases related to hematopoietic stem cell kinase 1 (HPK1).

A CONJUGATE OF AN AMANITA TOXIN WITH BRANCHED LINKERS

-

Page/Page column 147; 148, (2020/08/22)

Provided herein is the conjugation of an amanita toxin compound to a cell-binding molecule with branched linkers for having better targeted treatment of abnormal cells. It also relates to a branched-linkage method of conjugation of an amanita molecule to a cell-binding ligand, as well as methods of using the conjugate in targets treatment of cancer, infection and autoimmune disease.

A CONJUGATE OF A CYTOTOXIC AGENT TO A CELL BINDING MOLECULE WITH BRANCHED LINKERS

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Page/Page column 240-241, (2021/01/23)

Provided is a conjugation of cytotoxic drug to a cell-binding molecule with a side-chain linker. It provides side-chain linkage methods of making a conjugate of a cytotoxic molecule to a cell-binding ligand, as well as methods of using the conjugate in targeted treatment of cancer, infection and immunological disorders.

A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS

-

Paragraph 000382; 000383, (2021/03/02)

The present invention relates to the conjugation of a tubulysin analog compound to a cell-binding molecule with branched/side-chain linkers for having better delivery of the conjugate compound and targeted treatment of abnormal cells. It also relates to a branched-linkage method of conjugation of a tubulysin analog molecule to a cell-binding ligand, as well as methods of using the conjugate in targeted treatment of cancer, infection and autoimmune disease.

CROSS-LINKED PYRROLOBENZODIAZEPINE DIMER (PBD) DERIVATIVE AND ITS CONJUGATES

-

Page/Page column 125; 127, (2020/01/31)

A novel cross-linked cytotoxic agents, pyrrolobenzo-diazepine dimer (PBD) derivatives, and their conjugates to a cell-binding molecule, a method for preparation of the conjugates and the therapeutic use of the conjugates.

CONJUGATION LINKERS CONTAINING 2,3-DIAMINOSUCCINYL GROUP

-

Page/Page column 193-194, (2020/05/19)

Provided is a conjugate of a cytotoxic drug/molecule to a cell-binding molecule with a bis-linker (adual-linker) containing a 2, 3-diaminosuccinyl group. It also relates to preparation of the conjugate of a cytotoxic drug/molecule to a cell-binding molecule with the bis-linker, particularly when the drug having functional groups of amino, hydroxyl, diamino, amino-hydroxyl, dihydroxyl, carboxyl, hydrazine, aldehyde and thiol for conjugation with the bis-linker in a specific manner, as well as the therapeutic use of the conjugates.

COMPOUNDS, COMPOSITIONS, METHODS, AND USES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS

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Paragraph 0577-0578, (2020/02/06)

The present disclosure provides novel polypeptide-therapeutic compound or hormone-therapeutic compound conjugates using cleavable or non-cleavable linkers, whereby the polypeptide or hormone serves to target specific cells using receptor expression on the targeted cell to bind the ligand (polypeptide or hormone) carrying the therapeutic compound unlike antibody drug conjugates. Upon binding, the ligand and the therapeutic compound (multiples of the therapeutic compound in some embodiments) enter the cell by receptor-mediated endocytosis, and release drugs conjugated to the ligand by linkers, to interact with intracellular components to enhance, restore, or block a signal transduction process. The ligands for the polypeptide-therapeutic compound or hormone-therapeutic compound conjugates include, but are not limited to: cytokines, growth factors and hormones among other proteins with corresponding cell surface specific receptors. The disorders targeted by such polypeptide-therapeutic compound or hormone-therapeutic compound conjugates include, but are not limited to: immunological disorders (e.g., allergy and autoimmune disorders) and cancer.

A CONJUGATE OF A TUBULYSIN ANALOG WITH BRANCHED LINKERS

-

Page/Page column 11; 183, (2019/07/17)

The present invention relates to the conjugation of a tubulysin analog compound to a cell-binding molecule with branched/side-chain linkers for having better delivery of the conjugate compound and targeted treatment of abnormal cells. It also relates to a branched-linkage method of conjugation of a tubulysin analog molecule to a cell-binding ligand, as well as methods of using the conjugate in targeted treatment of cancer, infection and autoimmune disease.

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