Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0ME2Y)
DIG Name
Diethylene glycol monoethyl ether
Synonyms    Click to Show/Hide the Synonyms of This DIG
2-(2-Ethoxyethoxy)ethanol; Diethylene glycol monoethyl ether; 111-90-0; CARBITOL; Transcutol; Ethoxy diglycol; Ethyl carbitol; 2(2-Ethoxyethoxy)ethanol; Dioxitol; Ethanol, 2-(2-ethoxyethoxy)-; Ethyl digol; Carbitol solvent; Transcutol P; Ethoxydiglycol; Solvolsol; Losungsmittel apv; Dowanol DE; Carbitol cellosolve; Poly-Solv DE; Diglycol monoethyl ether; DEGMEE; Ektasolve DE; Ethyl diethylene glycol; Diethylene glycol ethyl ether; 3,6-Dioxa-1-octanol; Dowanol 17; Karbitol; Ethylene diglycol monoethyl ether; 2-(2-Ethoxyethoxy) ethanol; 2-(2-Ethoxyethoxy)-ethanol; Monoethyl ether of diethylene glycol; Diethyleneglycol monoethyl ether; 3,6-Dioxa-1-oktanol; UNII-A1A1I8X02B; Ethanol, 2,2'-oxybis-, monoethyl ether; 2-(Ethoxyethoxy)ethanol; MFCD00002872; A1A1I8X02B; 2-(2-ethoxyethoxy)ethan-1-ol; CHEBI:40572; Diethylene glycol monoethyl ether [NF]; DSSTox_CID_1941; Aqualine?Complete 1; Aqualine?Complete 2; Aqualine?Complete 5; DSSTox_RID_76417; Karbitol [Czech]; DSSTox_GSID_21941; Diethylene glycol monoethyl ether (NF); AE3; CAS-111-90-0; HSDB 51; Aethyldiaethylenglycol; Aethyldiaethylenglycol [German]; 3,6-Dioxa-1-oktanol [Czech]; EINECS 203-919-7; NSC 408451; PM 1799; BRN 1736441; Ethyldiglycol; Diethoxol; AI3-01740; O-Ethyldigol; Eastman DE; Ethyl Di-Icinol; Glycol Ether DE; (Ethoxyethoxy)ethanol; 3,6-Dioxaoctan-1-ol; 2-(2ethoxyethoxy)ethanol; EC 203-919-7; 1-Hydroxy-3,6-dioxaoctane; ACMC-1C79A; SCHEMBL16399; 2-(2-Ethoxyethoxy);ethanol; Aqualine?Complete 5K; diethyleneglycol monoethylether; WLN: Q2O2O2; 2-(2-ethoxy-ethoxy)-ethanol; Di(ethylene glycol) ethyl ether; 2-(.beta.-Ethoxyethoxy)ethanol; 3,6-DIOXAOCTANE-1-OL; CHEMBL1230841; diethylene glycol-monoethyl ether; DTXSID2021941; Diethyleneglycol Monoethyl-d5Ether; ZINC1600621; Tox21_200413; Tox21_300080; ANW-16340; Ethanol,2'-oxybis-, monoethyl ether; NSC408451; SBB060178; STL453580; AKOS009031390; MCULE-8940886567; NSC-408451; Ehanol, 2,2'-oxybis-, monoethyl ether; NCGC00247898-01; NCGC00247898-02; NCGC00254003-01; NCGC00257967-01; Di(ethylene glycol) ethyl ether, >=99%; Diethylene glycol monoethyl ether, >=99%; CS-0015134; E0048; FT-0624897; FT-0693130; ST51046410; Glycol Ether DE (Low Gravity) Reagent Grade; D08904; 28293-EP2269986A1; 28293-EP2314577A1; 28293-EP2371809A1; 28293-EP2380568A1; 28293-EP2380873A1; Q416399; J-505606; Diethylene glycol monoethyl ether, ReagentPlus(R), 99%; Diethylene glycol monoethyl ether, SAJ first grade, >=98.0%; Diethylene glycol monoethyl ether, Vetec(TM) reagent grade, 99%; Diethylene glycol monoethyl ether, United States Pharmacopeia (USP) Reference Standard; 1219804-11-1
DIG Function
Solubilizing agent; Solvent
PubChem CID
8146
Formula
C6H14O3
Canonical SMILES
CCOCCOCCO
InChI
1S/C6H14O3/c1-2-8-5-6-9-4-3-7/h7H,2-6H2,1H3
InChIKey
XXJWXESWEXIICW-UHFFFAOYSA-N
   Click to Show/Hide the Molecular Data (Structure/Property) of This DIG
Structure
<iframe style="width: 300px; height: 300px;" frameborder="0" src="https://embed.molview.org/v1/?mode=balls&cid=8146"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 134.17 Topological Polar Surface Area 38.7
XlogP -0.5 Complexity 47.6
Heavy Atom Count 9 Rotatable Bond Count 6
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 3
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Other protein families (OPF)
            DBT Name: Transthyretin (TTR) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 = 10000 nM (estimated based on the structural similarity with CHEMBL155204 ) [1]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    UniProt ID TTHY_HUMAN
      Cell line (CELL)
            DBT Name: Cervical cancer HeLa cells (HeLa) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 > 100000 nM (estimated based on the structural similarity with CHEMBL155204 ) [2]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0030
            DBT Name: Ductal cancer PaCa-2 cells (MIA PaCa-2) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 > 100000 nM (estimated based on the structural similarity with CHEMBL155204 ) [2]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0428
            DBT Name: Lung cancer NCI-H460 cells (NCI-H460) Click to Show/Hide
               Detailed Information DBT Info click to show the detail info of this DBT
               Experiment for Assessing the Biological Activity of the Studied DIG on This DBT
                    Biological Activity IC50 > 100000 nM (estimated based on the structural similarity with CHEMBL155204 ) [2]
                    Structural Similarity Tanimoto coefficient = 1
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0459
References
1 Crown Ethers as Transthyretin Amyloidogenesis Inhibitors. J Med Chem. 2019 Feb 28; 62(4):2076-2082.
2 Antitumor potential of crown ethers: structure-activity relationships, cell cycle disturbances, and cell death studies of a series of ionophores. J Med Chem. 2007 Mar 8; 50(5):1007-18.

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