Details of the Drug Inactive Ingredient (DIG)

General Information of DIG (ID: E0TD8C)
DIG Name
Beta-mercaptoalanine
Synonyms    Click to Show/Hide the Synonyms of This DIG
L-cysteine; 52-90-4; cysteine; (R)-2-Amino-3-mercaptopropanoic acid; Cystein; Half-cystine; (R)-Cysteine; Thioserine; L-(+)-Cysteine; L-Cystein; (2R)-2-amino-3-sulfanylpropanoic acid; beta-Mercaptoalanine; Half cystine; FREE CYSTEINE; H-Cys-OH; Cysteine, L-; L-Cys; L-Alanine, 3-mercapto-; L-2-Amino-3-mercaptopropionic acid; Cisteinum [Latin]; Cisteina [Spanish]; cisteina; Polycysteine; Cisteinum; Cysteinum; (R)-2-Amino-3-mercaptopropionic acid; L Cysteine; L-Zystein; alpha-Amino-beta-thiolpropionic acid; L-2-Amino-3-mercaptopropanoic acid; Cysteinum [INN-Latin]; Cisteina [INN-Spanish]; beta-Mercaptoalanine, L-; L-cysteinyl radical; (2R)-2-amino-3-mercaptopropanoic acid; 2-Amino-3-mercaptopropionic acid; CCRIS 912; FEMA No. 3263; HSDB 2109; alpha-Amino-beta-thiolpropionic acid, L-; AI3-26559; alpha-Amino-beta-mercaptopropanoic acid, L-; alpha-Amino-beta-mercaptopropionic acid, L-; NSC-8746; Propanoic acid, 2-amino-3-mercapto-, (R)-; 2-Amino-3-mercaptopropanoic acid, (R)-; UNII-K848JZ4886; CHEBI:17561; Cysteine HCl; (R)-(+)-Cysteine; MFCD00064306; CHEMBL863; E920; Cys; K848JZ4886; (+)-2-Amino-3-mercaptopropionic acid; L-Cysteine, 98+%; E 920; Cysteine [INN]; b-Mercaptoalanine; (2R)-2-amino-3-mercaptopropanoate; (2R)-2-amino-3-sulfanylpropanoate; 202114-66-7; 3-mercapto-L-Alanine; EINECS 200-158-2; 345909-32-2 (.xH2O); l-cycteine; racemic cysteine; 2-amino-3-mercaptopropanoate; 1ssq; Ecolan (TN); L-Cysteine, 97%; .beta.-Mercaptoalanine; PubChem23844; (2R)-2-amino-3-sulfanyl-propanoic acid; 1xt8; L-Cysteine, homopolymer; L-Cysteine (JP17); Acetylcysteine Impurity B; bmse000034; bmse000975; Epitope ID:140791; EC 200-158-2; 2-Amino-3-mercaptopropionate; GTPL4782; L-Cysteine, >=97%, FG; L-2-Amino-3-mercaptopropanoate; 2-amino-3-mercapto-, (R)-; DTXSID8022876; L-Cysteine from non-animal source; L-Cysteine, Cell Culture Reagent; AIDS002953; ZINC895042; (R)-2-Amino-3-mercaptopropanoate; HY-Y0337; STR02584; (R)-2-amino-3-mercapto-Propanoate; ANW-31581; BDBM50109609; s5635; AKOS015854128; AM81648; CCG-266077; CS-W009027; DB00151; MCULE-6337217524; (R)-2-amino-3-mercapto-Propanoic acid; NCGC00248803-01; .alpha.-Amino-.beta.-thiolpropionic acid; 62488-11-3; L-Cysteine, BioUltra, >=98.5% (RT); AB0061707; E-920; L-Cysteine, SAJ special grade, >=98.5%; L-Cysteine, Vetec(TM) reagent grade, 97%; (R)?-?2-?Amino-?3-?mercaptopropionic acid; A-7785; C-9615; C00097; D00026; M03086; Propanoic acid, 2-amino-3-mercapto-, (R)-; X-2941; 85353-EP2280004A1; 85353-EP2280020A1; 85353-EP2280021A1; 85353-EP2289892A1; 85353-EP2305808A1; 064C306; Q186474; (2R)-2-amino-3-sulfanylpropanoic acid hydrochloride; Q-201286; Q-201328; BBAE7AE6-FC21-4D37-808D-C7F7A2BA637F; Q27115093; F0001-2369; F8880-8973; L-Cysteine, certified reference material, TraceCERT(R); UNII-0O72R8RF8A component XUJNEKJLAYXESH-REOHCLBHSA-N; UNII-5CM45Q5YAF component XUJNEKJLAYXESH-REOHCLBHSA-N; L-Cysteine, produced by Wacker Chemie AG, Burghausen, Germany, >=98.0%; L-Cysteine, from non-animal source, BioReagent, suitable for cell culture, >=98%; L-Cysteine, PharmaGrade, from non-animal source, Ajinomoto, manufactured under appropriate GMP controls for Pharma or Biopharmaceutical production, suitable for cell culture
DIG Function
Antioxidant
PubChem CID
5862
Formula
C3H7NO2S
Canonical SMILES
C([C@@H](C(=O)O)N)S
InChI
1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1
InChIKey
XUJNEKJLAYXESH-REOHCLBHSA-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=5862"></iframe>
3D MOL 2D MOL
Physicochemical Properties Molecular Weight 121.16 Topological Polar Surface Area 64.3
XlogP -2.5 Complexity 75.3
Heavy Atom Count 7 Rotatable Bond Count 2
Hydrogen Bond Donor Count 3 Hydrogen Bond Acceptor Count 4
Full List of Biological Targets of DIG (DBTs) Regulated by This DIG
      Oxidoreductase (ORase)
            DBT Name: Prostaglandin G/H synthase 2 (COX-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 = 4.7 uM (tested by experiment) [1]
                    Tested Species Homo sapiens (Human)
                    UniProt ID PGH2_HUMAN
      Potential-driven transporter (PDT)
            DBT Name: Cystine/glutamate transporter (SLC7A11) 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 Ki = 59000 nM (tested by experiment) [2]
                    Tested Species Homo sapiens (Human)
                    UniProt ID XCT_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 > 50000 nM (tested by experiment) [3]
                    Tested Species Homo sapiens (Human)
                    Cellosaurus ID CVCL_0030
References
1 The activities of drug inactive ingredients on biological targets. Science. 2020 Jul 24;369(6502):403-413.
2 Isoxazole analogues bind the system xc- transporter: structure-activity relationship and pharmacophore model. Bioorg Med Chem. 2010 Jan 1; 18(1):202-13.
3 Synthesis and biological evaluation of L-cysteine derivatives as mitotic kinesin Eg5 inhibitors. Bioorg Med Chem Lett. 2007 Jul 15; 17(14):3921-4.

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